SCHEMBL2010317

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
	SCHEMBL2012899	0.74	GAA (0.36)	ALDH1A1MAPTHPGDGAAMAPK1
	SCHEMBL2013268	0.73	CASP3 (0.45)	ALDH1A1CYP2C9CYP2C19MAPTHPGD
	SCHEMBL9498871	0.72	ALDH1A1 (0.38)	ALDH1A1CYP2C19CYP1A2CYP2D6MAPT
	Gallacetophenone SCHEMBL105704	0.72	SELL (0.62)	ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6
	Gallacetophenone SCHEMBL29537961	0.72	SELL (0.62)	ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6
	SCHEMBL2009246	0.72	ALDH1A1 (0.53)	ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6
	SCHEMBL21951042	0.71	ALDH1A1 (0.47)	ALDH1A1HPGDMAPK1HSD17B1CYP3A4
	SCHEMBL30003813	0.71	ALDH1A1 (0.47)	ALDH1A1HPGDMAPK1HSD17B1CYP3A4
	SCHEMBL30736074	0.69	CYP1A2 (0.50)	ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6
	SCHEMBL480388	0.69	CYP1A2 (0.50)	ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6

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 6 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.