SCHEMBL21707244

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
	SCHEMBL20465274	0.96	MKNK1 (0.53)	CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
	SCHEMBL22130016	0.96	CYP2A6 (0.56)	CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
	SCHEMBL17486128	0.90	ALDH1A1 (0.59)	CYP2A6ALDH1A1CYP1A2CYP3A4CYP19A1
	SCHEMBL22650230	0.89	KMT2A (0.54)	CYP2A6ALDH1A1CYP1A2CYP3A4CYP19A1
	SCHEMBL17050896	0.86	ALDH1A1 (0.59)	CYP2A6ALDH1A1CYP1A2CYP3A4CYP19A1
	SCHEMBL17944660	0.86	CYP2A6 (0.62)	CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
	SCHEMBL19039937	0.86	CYP2A6 (0.62)	CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
	SCHEMBL2254917	0.86	CYP2A6 (0.62)	CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
	SCHEMBL23248728	0.86	MKNK1 (0.53)	CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
	SCHEMBL29603965	0.86	CYP2A6 (0.52)	CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1

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 4 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.