SCHEMBL95595

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
	SCHEMBL16502235	0.86	ALDH1A1 (0.48)	ALDH1A1TSHRKDM4ETDP1PRKDC
	SCHEMBL21823555	0.80	PRKDC (0.52)	ALDH1A1TSHRKDM4ETDP1PRKDC
	SCHEMBL27685954	0.78	L3MBTL1 (0.50)	ALDH1A1TSHRKDM4ETDP1PRKDC
	SCHEMBL21823665	0.78	PRKDC (0.50)	ALDH1A1TSHRKDM4ETDP1PRKDC
	SCHEMBL67611	0.78	ALDH1A1 (0.62)	ALDH1A1TSHRKDM4ETDP1PRKDC
	SCHEMBL23457804	0.78	ACHE (0.65)	ALDH1A1TSHRKDM4ETDP1CYP3A4
	SCHEMBL2089116	0.78	CA12 (0.65)	ALDH1A1TSHRCYP3A4NFE2L2MAPT
	SCHEMBL2090985	0.78	CA12 (0.65)	ALDH1A1TSHRCYP3A4NFE2L2MAPT
	SCHEMBL16098877	0.77	CA12 (0.73)	ALDH1A1TSHRKDM4ECYP3A4CA12
	SCHEMBL13651759	0.77	TRPV4 (0.49)	ALDH1A1TSHRKDM4EMAPTHPGD

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 11 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.