SCHEMBL458039

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
	SCHEMBL456849	0.87	ERCC5 (0.47)	HSD17B1ERCC5FEN1IKBKBCHUK
	SCHEMBL456265	0.82	ALDH1A1 (0.43)	GABRA2GABRB2CHRNA7RAB9A
	SCHEMBL28089966	0.79	HSD17B1 (0.40)	HSD17B1ERCC5FEN1IKBKBCHUK
	SCHEMBL19847782	0.78	AOC3 (0.36)	HSD17B1ERCC5FEN1IKBKBCHUK
	SCHEMBL559918	0.75	ALDH1A1 (0.41)	IKBKBALOX5AOC3NPC1RAB9A
	SCHEMBL12603775	0.73	AHR (0.50)	HSD17B1ERCC5FEN1ALOX5CNR1
	SCHEMBL15086666	0.73	ADORA3 (0.34)	HSD17B1ADORA3AOC3NPC1RAB9A
	SCHEMBL13273703	0.73	SHMT1 (0.38)	HSD17B1ERCC5FEN1FLT1FLT4
	SCHEMBL19847866	0.72	MCL1 (0.51)	HSD17B1ADORA3
	SCHEMBL12603786	0.72	ALOX5 (0.41)	HSD17B1ERCC5FEN1ALOX5

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 26 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 (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.