SCHEMBL21710467

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
	SCHEMBL19563765	0.94	CYP1A2 (0.39)	CYP2A6CYP1A2NPY5RKDM4EALDH1A1
	SCHEMBL21710648	0.91	CYP2A6 (0.43)	CYP2A6CYP1A2NPY5RKDM4EHSD17B10
	SCHEMBL21717345	0.89	BRD9 (0.40)	CYP2A6CYP1A2KDM4EHSD17B10ALDH1A1
	SCHEMBL21718144	0.89	CYP2A6 (0.37)	CYP2A6CYP1A2NPY5RTDP1BRD9
	SCHEMBL21717368	0.87	CYP2A6 (0.42)	CYP2A6CYP1A2NPY5RKDM4EHSD17B10
	SCHEMBL19563825	0.87	CYP2A6 (0.36)	CYP2A6CYP1A2NPY5RKDM4EALDH1A1
	SCHEMBL21717366	0.86	ESR1 (0.39)	NPY5RKDM4EHSD17B10ALDH1A1HPGD
	SCHEMBL21717822	0.85	ESR1 (0.38)	NPY5RKDM4EHSD17B10ALDH1A1HPGD
	SCHEMBL21718047	0.85	ESR1 (0.38)	CYP1A2NPY5RKDM4EHSD17B10ALDH1A1
	SCHEMBL19563800	0.84	CYP1A2 (0.44)	CYP2A6CYP1A2KDM4EALDH1A1HPGD

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 7 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.