SCHEMBL2305451

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
	SCHEMBL29460856	1.00	CASP3 (0.76)	CASP3CES1ACHECHRM1ALDH1A1
	SCHEMBL18288159	0.87	CES1 (0.90)	CASP3CES1ACHECHRM1ALDH1A1
	SCHEMBL13442854	0.87	CASP3 (1.00)	CASP3CHRM5APAF1KDM4EGSK3A
	SCHEMBL4597561	0.85	ALDH1A1 (0.74)	CASP3CES1ACHECHRM1ALDH1A1
	SCHEMBL10958982	0.83	CES1 (0.63)	CASP3CES1ACHECHRM1ALDH1A1
	SCHEMBL10975507	0.83	CES1 (0.77)	CASP3CES1ACHECHRM1ALDH1A1
	SCHEMBL30774290	0.83	CES1 (0.77)	CASP3CES1ACHECHRM1ALDH1A1
	SCHEMBL18975004	0.83	CES1 (0.77)	CES1ACHECHRM1ALDH1A1ALDH3A1
	SCHEMBL578232	0.83	PARK7 (0.76)	CASP3CES1CHRM1ALDH1A1ALDH3A1
	SCHEMBL3014022	0.83	CHRM5 (0.67)	CASP3CES1ACHECHRM1ALDH1A1

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 72 patents — showing the first 20. 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 (2 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.