SCHEMBL689378

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
	SCHEMBL687986	0.82	CYP1A1 (0.41)	CYP1B1CYP1A1HPRT1CA1CA2
	SCHEMBL689725	0.80	CYP1A1 (0.44)	CYP1B1CYP1A1ALDH1A1HSD17B10HPRT1
	SCHEMBL4078176	0.80	CA1 (0.55)	CYP1B1CYP1A1ALDH1A1HSD17B10CYP3A4
	SCHEMBL9100044	0.80	ALDH1A1 (0.45)	CYP1B1CYP1A1ALDH1A1HSD17B10CYP3A4
	SCHEMBL692894	0.78	ALDH1A1 (0.48)	CYP1B1CYP1A1ALDH1A1HSD17B10CYP3A4
	SCHEMBL7035021	0.76	NQO2 (0.55)	CYP1B1CYP1A1ALDH1A1HSD17B10HPGD
	SCHEMBL2119555	0.76	CYP1B1 (0.48)	CYP1B1CYP1A1ALDH1A1HSD17B10HPGD
	SCHEMBL11815018	0.73	CYP1B1 (0.61)	CYP1B1CYP1A1ALDH1A1HSD17B10HPGD
	SCHEMBL688781	0.73	ALDH1A1 (0.38)	CYP1B1CYP1A1ALDH1A1HSD17B10CYP3A4
	SCHEMBL2153752	0.72	ALDH1A1 (0.54)	CYP1B1ALDH1A1HSD17B10CYP3A4HPGD

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 100 patents — showing the first 20. 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.