SCHEMBL1593532

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
	SCHEMBL1594755	0.85	ALDH1A1 (0.42)	ALDH1A1L3MBTL1CNR2RAF1PTGER1
	SCHEMBL1594408	0.85	ALDH1A1 (0.42)	ALDH1A1L3MBTL1CNR2RAF1PTGER1
	SCHEMBL2058219	0.82	PTGER1 (0.47)	ALDH1A1L3MBTL1PTGER1KEAP1NFE2L2
	SCHEMBL1593440	0.81	ALDH1A1 (0.59)	ALDH1A1L3MBTL1GAANPC1KEAP1
	SCHEMBL1594771	0.81	EPHX2 (0.43)	ALDH1A1L3MBTL1GAACNR2PTGER1
	SCHEMBL1593804	0.81	ALDH1A1 (0.62)	ALDH1A1PKML3MBTL1GAANPC1
	SCHEMBL1595260	0.73	ALDH1A1 (1.00)	ALDH1A1PKML3MBTL1GAANPC1
	SCHEMBL21408757	0.73	ALDH1A1 (0.45)	ALDH1A1PKML3MBTL1GAANPC1
	SCHEMBL1594129	0.71	NPC1 (0.44)	ALDH1A1NPC1RAB9ARAF1KDM4E
	SCHEMBL5306702	0.70	ALDH1A1 (0.49)	ALDH1A1PKML3MBTL1GAANPC1

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 20 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.