SCHEMBL4744729

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
	SCHEMBL29555282	0.89	PTPN1 (0.47)	PTPN1PTPRCPTPRFCDC25BBACE1
	SCHEMBL28887375	0.76	PTPN1 (0.34)	PTPN1PTPRCPTPRFCDC25BALDH1A1
	SCHEMBL17047977	0.74	CYP3A4 (0.38)	CYP3A4TDP1PTPN1PTPRCPTPRF
	SCHEMBL29860849	0.74	PTPN1 (0.35)	PTPN1PTPRCPTPRFCDC25BBACE1
	Hydrochloric Acid SCHEMBL4804358	0.72	CYP3A4 (0.43)	CYP3A4TDP1PTPN1PTPRCPTPRF
	SCHEMBL4215127	0.69	CYP3A4 (0.52)	CYP3A4TDP1ESR1ESR2
	SCHEMBL6886030	0.69	CYP3A4 (0.75)	CYP3A4TDP1ESR1ESR2ALDH1A1
	SCHEMBL1258556	0.69	CYP3A4 (0.75)	CYP3A4TDP1ESR1ESR2ALDH1A1
	SCHEMBL28390312	0.69	CYP3A4 (0.75)	CYP3A4TDP1ESR1ESR2ALDH1A1
	SCHEMBL31539924	0.66	CYP3A4 (0.71)	CYP3A4TDP1ESR1ESR2ALDH1A1

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 (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.