SCHEMBL2012800

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
	SCHEMBL1021267	0.90	MAPT (0.52)	NPC1RAB9AALDH1A1PKMTSHR
	SCHEMBL2009542	0.89	ALDH1A1 (0.50)	ALDH1A1PKMTSHRKMT2AMEN1
	SCHEMBL2008083	0.87	NPSR1 (0.47)	NPC1RAB9AALDH1A1GAAPKM
	SCHEMBL2010721	0.87	PKM (0.51)	ALDH1A1GAAPKMTSHRTP53
	SCHEMBL14555299	0.86	HDAC3 (0.50)	ALDH1A1PKMKMT2AMEN1MAPT
	SCHEMBL2003352	0.85	ALDH1A1 (0.50)	ALDH1A1PKMTSHRKMT2AMEN1
	SCHEMBL2006326	0.85	ALDH1A1 (0.50)	ALDH1A1PKMLMNAPOLBL3MBTL1
	SCHEMBL2005153	0.85	PKM (0.54)	RAB9AALDH1A1GAAPKMTSHR
	SCHEMBL12569067	0.85	PKM (0.56)	NPC1RAB9AALDH1A1PKMTSHR
	SCHEMBL2012534	0.84	HSD11B1 (0.59)	ALDH1A1GAAPKMKMT2AMEN1

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 31 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 (3 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.