SCHEMBL4390898

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
	SCHEMBL29707612	0.85	CYP1A2 (0.44)	CYP2A6KMT2ACYP1A2CYP3A4SLC6A2
	SCHEMBL1721014	0.85	CYP1A2 (0.44)	CYP2A6KMT2ACYP1A2CYP3A4SLC6A2
	SCHEMBL24214997	0.82	CYP4F2 (0.39)	CYP2A6KMT2AIDO1CYP1A2CYP3A4
	SCHEMBL5349984	0.80	CYP1A2 (0.41)	CYP2A6CYP1A2CYP3A4SLC6A2SLC6A3
	SCHEMBL6211230	0.79	CYP2A6 (0.52)	CYP2A6KMT2ATECIDO1CYP1A2
	SCHEMBL31069470	0.78	CYP1A2 (0.42)	CYP2A6CYP1A2TRPA1ALDH1A1TSHR
	SCHEMBL2888187	0.78	CYP1A2 (0.42)	CYP2A6CYP1A2TRPA1ALDH1A1TSHR
	SCHEMBL15351609	0.77	CYP2A6 (0.50)	CYP2A6KMT2ATECIDO1CYP1A2
	SCHEMBL21584423	0.77	IDO1 (0.58)	CYP2A6KMT2ATECIDO1CYP1A2
	SCHEMBL15352347	0.77	CYP2A6 (0.50)	CYP2A6KMT2ATECIDO1CYP1A2

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 8 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 (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.