SCHEMBL2995601

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
	SCHEMBL3007498	0.84	ALDH1A1 (0.46)	NPY5RALDH1A1KDM4EL3MBTL1CDK1
	SCHEMBL3007959	0.83	GPR39 (0.47)	NPY5RALDH1A1KDM4EL3MBTL1CDK1
	SCHEMBL3011369	0.83	BRD4 (0.41)	NPY5RLATS1LATS2PTGS1CDK1
	SCHEMBL3005233	0.78	ADORA2A (0.40)	ALDH1A1KDM4EL3MBTL1ITKLMNA
	SCHEMBL3005238	0.75	NPY5R (0.45)	NPY5RKDM4ECDK1CCNB1LMNA
	SCHEMBL2998551	0.75	LRRK2 (0.42)	NPY5RALDH1A1KDM4ECDK1CCNB1
	SCHEMBL3416220	0.74	ALDH1A1 (0.40)	NPY5RALDH1A1KDM4ECDK1CCNB1
	SCHEMBL3012816	0.74	ALDH1A1 (0.43)	NPY5RALDH1A1KDM4EITKLMNA
	SCHEMBL3756501	0.74	NPC1 (0.33)	ALDH1A1KDM4EL3MBTL1TRIM24
	SCHEMBL13079345	0.73	NPY5R (0.42)	NPY5RHTTPIM1

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 29 patents — showing the first 20. 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 (4 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.