SCHEMBL4039940

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

	Compound	similarity	top predicted	shared targets
	SCHEMBL4047936	0.95	C3AR1 (0.39)	PARP1PARP2TNKSPARP4PARP3
	SCHEMBL4047662	0.89	CTSK (0.41)	PARP1PARP2TNKSPARP4PARP3
	SCHEMBL4039947	0.88	TNKS (0.38)	PARP1PARP2TNKSPARP4PARP3
	SCHEMBL4044640	0.87	DPP4 (0.41)	PARP1PARP2TNKSPARP4PARP3
	SCHEMBL4043491	0.86	DPP4 (0.48)	DPP4OPRM1
	SCHEMBL4040172	0.86	DPP4 (0.43)	PARP1PARP2TNKSPARP4PARP3
	SCHEMBL4039215	0.85	DPP4 (0.39)	PARP1PARP2TNKSPARP4PARP3
	SCHEMBL4044370	0.84	DPP4 (0.40)	PARP1PARP2TNKSPARP4PARP3
	SCHEMBL4043904	0.84	DPP4 (0.44)	DPP4KDM4EALDH1A1MEN1KMT2A
	SCHEMBL4045457	0.83	FKBP1A (0.39)	ALDH1A1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.