Cucucrbituril (CB) belongs to a family of macrocycles that are easily accessible. Their structural specificity provides excellent molecular recognition capabilities, with the ability to be readily chemically modified. Because of these properties, researchers have found CB to be a useful molecular carrier for delivering drug molecules and therapeutic biomolecules. Their significance lies in the fact that CB not only increases the solubility and stability of an encapsulated guest but also provides the possibility to achieve targeted delivery of the guest molecule. Therefore, the emergence of CB undoubtedly provides opportunities for the development of targeted drug delivery in an era where intelligent drugs have attracted considerable attention. It has also been found that CB can enhance fluorescent dyes, allowing the preparation of biosensors with enhanced sensitivity for use in clinical settings. In the present review, the acquisition, properties, and structural modifications of CB are first comprehensively described, and then the value of this macrocycle in applications within the medical field is discussed. In addition, we have also summarized patent applications of CB in this field over recent years, aiming to illustrate the current status of developments of this molecule. Finally, we discuss the challenges faced by CB in the medical field and future trends in its development.