SCHEMBL21717857

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
	SCHEMBL21717368	0.89	CYP2A6 (0.42)	CYP2A6CYP1A2NPY5RALKBH5FTO
	SCHEMBL19563792	0.89	CYP1A2 (0.43)	CYP2A6CYP1A2IKBKBTDP1ALDH1A1
	SCHEMBL21710652	0.89	ALKBH5 (0.42)	CYP2A6CYP1A2NPY5RALKBH5FTO
	SCHEMBL21718144	0.88	CYP2A6 (0.37)	CYP2A6CYP1A2NPY5RALKBH5FTO
	SCHEMBL26227197	0.88	CYP2A6 (0.40)	CYP2A6CYP1A2IKBKBTDP1ALDH1A1
	SCHEMBL21710731	0.86	ENPP3 (0.37)	NPY5RALDH1A1MAPK9MAPK14CHEK1
	SCHEMBL22679479	0.86	CYP1A2 (0.40)	CYP2A6CYP1A2ALKBH5FTOALDH1A1
	SCHEMBL21718100	0.83	ESR1 (0.44)	CYP1A2NPY5RTDP1ESR1ESR2
	SCHEMBL21717873	0.83	CYP2A6 (0.46)	CYP2A6CYP1A2ALKBH5FTOTDP1
	SCHEMBL21718165	0.81	ESR1 (0.38)	CYP1A2NPY5RESR1ESR2HSD17B1

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 6 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 (3 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.