SCHEMBL3523456

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
	SCHEMBL4649015	0.73	AKR1C1 (0.48)	ALDH1A1CES1CES2LMNAMAPT
	SCHEMBL8438487	0.72	ALDH1A1 (0.54)	ALDH1A1MAPK1TDP1CES1AKT1
	SCHEMBL874660	0.72	ALDH1A1 (0.54)	ALDH1A1MAPK1TDP1CES1AKT1
	SCHEMBL7149428	0.71	CES1 (0.41)	ALDH1A1MAPK1TDP1CES1CES2
	SCHEMBL23978379	0.69	NFE2L2 (0.57)	ALDH1A1MAPK1TDP1CES1AKT1
	SCHEMBL12900918	0.69	NFE2L2 (0.57)	ALDH1A1MAPK1TDP1CES1AKT1
	SCHEMBL6722688	0.69	CES1 (0.43)	ALDH1A1MAPK1TDP1CES1MAOB
	SCHEMBL11505486	0.69	ALDH1A1 (0.50)	ALDH1A1MAPK1TDP1CES1AKT1
	SCHEMBL7361299	0.69	NFE2L2 (0.57)	ALDH1A1MAPK1TDP1CES1AKT1
	SCHEMBL7361301	0.69	NFE2L2 (0.57)	ALDH1A1MAPK1TDP1CES1AKT1

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.