SCHEMBL95946

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
	SCHEMBL97723	0.84	POLB (0.50)	CYP3A4CYP2C9CYP2C19ALDH1A1MEN1
	SCHEMBL97159	0.81	SGK1 (0.44)	CA1CA2ALDH1A1KMT2ALMNA
	SCHEMBL97052	0.78	ALDH1A1 (0.65)	ALDH1A1KMT2AGAAMAPTPOLB
	SCHEMBL2371744	0.77	NMT1 (0.52)	NMT1PFKFB4CA1CA2JAK1
	SCHEMBL2372645	0.76	NMT1 (0.56)	NMT1PFKFB4JAK1CYP3A4CYP2C9
	SCHEMBL95455	0.75	SGK1 (0.52)	SMN1; SMN2MAPTHTT
	SCHEMBL2371748	0.74	NMT1 (0.56)	NMT1PFKFB4CA1CA2CYP3A4
	SCHEMBL97106	0.74	NPSR1 (0.56)	CYP3A4CYP2C9CYP2C19ALDH1A1MEN1
	SCHEMBL95834	0.73	BRD4 (0.51)	CA1CA2CA7CA9CA14
	SCHEMBL13028577	0.72	PFKFB4 (0.55)	NMT1PFKFB4CA1CA2CA7

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 (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.