SCHEMBL828017

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
	SCHEMBL2258265	1.00	ALDH1A1 (0.45)	ALDH1A1CA2CA1CA12CA9
	SCHEMBL4714632	1.00	ALDH1A1 (0.45)	ALDH1A1CA2CA1CA12CA9
	SCHEMBL2256323	1.00	ALDH1A1 (0.45)	ALDH1A1CA2CA1CA12CA9
	SCHEMBL4593628	0.86	CYP1A2 (0.50)	ALDH1A1MGLLPHGDHKDM4ECYP1A2
	SCHEMBL11452385	0.84	CA2 (0.60)	ALDH1A1CA2CA1CA12CA9
	SCHEMBL4162749	0.79	—	—
	SCHEMBL22121831	0.76	—	—
	SCHEMBL6606354	0.74	—	—
	SCHEMBL22762181	0.73	ALDH1A1 (0.41)	ALDH1A1CA2CA1CA12CA9
	SCHEMBL896298	0.73	—	—

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 (11 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.