SCHEMBL456849

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
	SCHEMBL458039	0.87	HSD17B1 (0.41)	ERCC5FEN1HSD17B1CTRCNPC1
	SCHEMBL19847866	0.85	MCL1 (0.51)	HSD17B1SERPINE1MCL1
	SCHEMBL456265	0.82	ALDH1A1 (0.43)	ALDH1A1RAB9A
	SCHEMBL28089966	0.79	HSD17B1 (0.40)	ERCC5FEN1HSD17B1NPC1RAB9A
	SCHEMBL19847782	0.78	AOC3 (0.36)	ERCC5FEN1HSD17B1NPC1RAB9A
	SCHEMBL13273703	0.76	SHMT1 (0.38)	ERCC5FEN1HSD17B1NPC1RAB9A
	SCHEMBL2771168	0.75	KDM4E (0.52)	HSD17B1MCL1
	Acetic Acid SCHEMBL452191	0.74	HSD17B1 (0.41)	ERCC5FEN1HSD17B1NPC1RAB9A
	SCHEMBL7931195	0.74	CPT1B (0.42)	ALDH1A1HSD17B1NPC1RAB9A
	SCHEMBL12603775	0.73	AHR (0.50)	ERCC5FEN1HSD17B1ALOX5

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 27 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 (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.