SCHEMBL458915

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
	SCHEMBL15063834	0.81	METAP2 (0.37)	CYP3A4HSD17B1HSD17B2
	SCHEMBL454698	0.81	TAAR1 (0.52)	TAAR1ESR2CYP11B2CYP17A1CYP3A4
	SCHEMBL456086	0.79	RAB9A (0.40)	IDO1
	SCHEMBL15063826	0.78	BCL2L1 (0.35)	PTPN1
	SCHEMBL15063974	0.78	TAAR1 (0.48)	TAAR1ESR2CYP11B2CYP17A1CYP3A4
	SCHEMBL458728	0.78	ALOX5 (0.47)	TAAR1ESR2MAP4K4DCLRE1B
	SCHEMBL15064180	0.78	TAAR1 (0.48)	TAAR1ESR2CYP11B2CYP17A1CYP3A4
	SCHEMBL457326	0.78	TAAR1 (0.48)	TAAR1ESR2CYP11B2CYP17A1CYP3A4
	SCHEMBL15063583	0.78	ACHE (0.39)	MAP4K4NOTUMPARP10PARP11IDO1
	SCHEMBL458519	0.77	MAOB (0.45)	PTPN1NOTUMCA12CA9PARP10

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 9 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.