SCHEMBL1033862

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
	SCHEMBL1033554	0.83	SCN9A (0.53)	CYP1A2ALDH1A1HPGDPKMNPC1
	SCHEMBL1033965	0.82	CHRNB2 (0.52)	ALDH1A1NPC1RAB9AGAASMN1; SMN2
	SCHEMBL1034301	0.82	HPGD (0.60)	CYP1A2ALDH1A1HPGDPKMNPC1
	SCHEMBL13187343	0.82	NPC1 (0.58)	CYP1A2ALDH1A1HPGDPKMNPC1
	SCHEMBL1034835	0.81	SIRT2 (0.51)	CYP1A2ALDH1A1HPGDPKMNPC1
	SCHEMBL1893869	0.80	PARP1 (0.61)	CYP1A2ALDH1A1HPGDPKMNPC1
	SCHEMBL1936924	0.80	CYP1A2 (0.50)	CYP1A2ALDH1A1HPGDPKMNPC1
	Bromide SCHEMBL27908387	0.80	CYP1A2 (0.66)	CYP1A2ALDH1A1HPGDPKMNPC1
	SCHEMBL1034904	0.80	CHRNB2 (0.55)	CYP1A2
	SCHEMBL1030918	0.79	SGMS2 (0.52)	ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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 8 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 (1 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.