SCHEMBL4086644

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
	SCHEMBL4097216	0.84	DPP4 (0.48)	HSP90AA1HTR2BPDE4DHSP90AB1ALDH1A1
	SCHEMBL6314405	0.78	HSP90AA1 (0.68)	HSP90AA1HTR2BPDE4DHSP90AB1ALDH1A1
	SCHEMBL9566485	0.77	HTR2B (0.72)	HSP90AA1HTR2BPDE4DHSP90AB1CDK9
	SCHEMBL4091773	0.76	HSP90AA1 (0.52)	HSP90AA1HTR2BPDE4DHSP90AB1CDK9
	SCHEMBL4096143	0.76	NPC1 (0.47)	HSP90AA1HSP90AB1ALDH1A1DPP4NPC1
	SCHEMBL1341957	0.71	ITGB2 (0.62)	PDE7AALDH1A1PKMMAPTCYP3A4
	SCHEMBL4086070	0.66	HSP90AA1 (1.00)	HSP90AA1HTR2BPDE4DHSP90AB1ALDH1A1
	SCHEMBL397076	0.65	ALDH1A1 (0.54)	HSP90AA1HSP90AB1ALDH1A1KDM4EDPP4
	SCHEMBL15101631	0.65	HSP90AA1 (0.39)	HSP90AA1HSP90AB1PDE7AALDH1A1PKM
	SCHEMBL2854136	0.65	HSP90AA1 (0.41)	HSP90AA1HTR2BPDE4DCDK9ALDH1A1

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 15 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.