SCHEMBL2296005

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
	SCHEMBL9278638	0.82	ALDH1A1 (0.54)	ALDH1A1FDPSHPGDNUDT1HRH4
	SCHEMBL12385900	0.77	ALDH1A1 (0.48)	ALDH1A1FDPSHPGDLMNAHTT
	SCHEMBL6702893	0.76	CXCR4 (0.52)	ALDH1A1FDPSHPGD
	SCHEMBL17700115	0.73	ALDH1A1 (0.54)	ALDH1A1FDPSHPGDIDH1
	SCHEMBL3810001	0.72	PRKCH (0.43)	ALDH1A1FDPSHPGDPRKCHPRKCQ
	SCHEMBL3808178	0.71	POLB (0.45)	ALDH1A1HPGDPRKCHPRKCQROCK2
	SCHEMBL15471030	0.70	ALDH1A1 (0.62)	ALDH1A1FDPSHPGDLMNAHTT
	SCHEMBL17700463	0.70	ALDH1A1 (0.50)	ALDH1A1FDPSHPGD
	SCHEMBL6701443	0.69	ADORA2A (0.43)	ALDH1A1HTT
	SCHEMBL2488958	0.69	—	—

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 (2 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.