SCHEMBL10000583

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
	SCHEMBL10000584	0.87	CYP2A6 (0.49)	CYP2A6PDK2CYP3A4CYP1A2CYP2D6
	SCHEMBL10027760	0.84	CYP11B1 (0.46)	CYP2A6PDK2CYP3A4CYP11B1CYP11B2
	SCHEMBL10000545	0.74	PDK2 (0.44)	PDK2CYP1A2CYP2C19KDM4EL3MBTL1
	SCHEMBL21742824	0.74	PDK2 (0.50)	CYP2A6PDK2CYP3A4CYP2D6CYP2C9
	SCHEMBL21742731	0.73	PDK2 (0.49)	CYP2A6PDK2CYP3A4CYP1A2CYP2D6
	SCHEMBL10000618	0.71	PDK2 (0.38)	CYP2A6PDK2CYP1A2CYP2C19KDM4E
	SCHEMBL26711316	0.69	CYP11B1 (0.35)	CYP2A6PDK2CYP1A2CYP2C19CYP11B1
	SCHEMBL28034686	0.69	CYP3A4 (0.52)	CYP2A6CYP3A4CYP1A2CYP2D6CYP2C9
	SCHEMBL30216796	0.67	CYP2A6 (0.61)	CYP2A6CYP3A4CYP1A2CYP11B1CYP11B2
	SCHEMBL7423944	0.67	CYP2A6 (0.61)	CYP2A6CYP3A4CYP1A2CYP11B1CYP11B2

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 (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.