SCHEMBL16399529

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
	SCHEMBL16399531	1.00	AHR (0.36)	AHRCYP17A1PTGS1CYP1A2GRM5
	SCHEMBL18004514	0.91	AHR (0.45)	AHRCYP17A1PTGS1CYP1A2CYP21A2
	SCHEMBL18004502	0.90	CYP17A1 (0.31)	CYP17A1CYP21A2CYP11B1
	SCHEMBL18004462	0.88	POLB (0.33)	AHRCYP17A1
	SCHEMBL18004459	0.87	NFE2L2 (0.40)	PTGS1NFE2L2NQO2PTGS2
	SCHEMBL18004355	0.87	AHR (0.52)	AHRCYP17A1PTGS1NQO2
	SCHEMBL16399488	0.86	NFE2L2 (0.39)	CYP17A1PTGS1NFE2L2CYP21A2CYP11B1
	SCHEMBL16399489	0.86	NFE2L2 (0.39)	CYP17A1PTGS1NFE2L2CYP21A2CYP11B1
	SCHEMBL18004540	0.85	ERBB2 (0.42)	NFE2L2TP53MAPTALOX5
	SCHEMBL18004460	0.85	ADORA1 (0.35)	AHRCYP17A1

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 14 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.