SCHEMBL17523404

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
	SCHEMBL17351675	1.00	PTGS2 (0.43)	PTGS2ESR1ESR2GSTP1NPC1
	SCHEMBL28779468	0.77	NPC1 (0.41)	NPC1RAB9AALDH1A1HPGDTP53
	SCHEMBL28779470	0.75	ALDH1A1 (0.33)	NPC1ALDH1A1HPGDTP53TSHR
	SCHEMBL28779489	0.73	ALDH1A1 (0.35)	NPC1ALDH1A1HPGDTP53TSHR
	SCHEMBL19544355	0.73	CYP1A2 (0.33)	CA1CA2CA9CA12
	SCHEMBL19520623	0.72	CYP2A6 (0.32)	CYP2A6TDP1
	SCHEMBL28779476	0.72	CYP2A6 (0.39)	NPC1RAB9ACYP2A6
	Anthracene SCHEMBL29172616	0.69	CYP2A6 (0.43)	CA1CA2CA9ALDH1A1HPGD
	SCHEMBL17351677	0.68	ESR1 (0.37)	PTGS2ESR1ESR2MEN1KMT2A
	SCHEMBL19429151	0.67	PTGS2 (0.41)	PTGS2MEN1KMT2AALDH1A1HPGD

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.