SCHEMBL281838

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
	SCHEMBL28799626	0.86	ALDH1A1 (0.62)	TRPA1ALDH1A1CES1ALDH3A1CHRM1
	SCHEMBL28946310	0.86	ALDH3A1 (0.64)	TRPA1ALDH1A1ALDH3A1ALDH2TP53
	SCHEMBL1445504	0.86	PRKAG1 (0.69)	TRPA1IDO1GSK3BTP53MAPT
	SCHEMBL281270	0.86	CES1 (0.63)	TRPA1ALDH1A1CES1ALDH3A1CHRM1
	SCHEMBL1164954	0.86	KMT2A (0.70)	TRPA1IDO1GSK3BTP53HSD17B10
	SCHEMBL31753576	0.86	KMT2A (0.70)	TRPA1IDO1GSK3BTP53HSD17B10
	SCHEMBL18954771	0.85	KMT2A (0.72)	ALDH1A1CES1ALDH3A1CHRM1ALDH2
	SCHEMBL1061275	0.84	TRPA1 (0.83)	TRPA1GSK3BTP53MAPTKMT2A
	SCHEMBL1061274	0.84	TRPA1 (0.83)	TRPA1GSK3BTP53MAPTKMT2A
	SCHEMBL29699673	0.84	CES1 (0.59)	TRPA1ALDH1A1CES1ALDH3A1CHRM1

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 34 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.