SCHEMBL21596850

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
	SCHEMBL31605597	1.00	DRD1 (0.44)	DRD1HTR1AMEN1KMT2AACHE
	SCHEMBL15199239	0.82	EGFR (0.41)	DRD1ACHEALDH1A1CYP3A4NFE2L2
	SCHEMBL23731386	0.80	EGFR (0.40)	DRD1ACHEALDH1A1NFE2L2EGFR
	SCHEMBL8809826	0.79	CYP19A1 (0.43)	ACHEALDH1A1
	SCHEMBL22618628	0.78	NQO2 (0.38)	ALDH1A1CYP1A2CYP3A4
	SCHEMBL21357843	0.78	CYP3A4 (0.47)	MEN1KMT2AACHECYP1A2CYP3A4
	SCHEMBL30777410	0.78	CYP3A4 (0.47)	MEN1KMT2AACHECYP1A2CYP3A4
	SCHEMBL3293104	0.78	ALDH1A1 (0.40)	MEN1KMT2AACHEALDH1A1CYP3A4
	SCHEMBL29383412	0.78	NQO2 (0.38)	ALDH1A1CYP1A2CYP3A4
	SCHEMBL27946095	0.78	TAAR1 (0.40)	DRD1KMT2AACHEALDH1A1CYP1A2

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 12 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 (4 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.