SCHEMBL21596790

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
	SCHEMBL31432811	0.89	ALDH1A1 (0.42)	ALDH1A1KDM4EHSD17B10HPGDMAPK1
	SCHEMBL21596854	0.86	NPC1 (0.39)	ALDH1A1KDM4EHSD17B10HPGDCACNA1H
	SCHEMBL21596799	0.85	MAPT (0.42)	ALDH1A1KDM4EHSD17B10CACNA1HMAPK1
	SCHEMBL12763938	0.84	PTGS2 (0.48)	ALDH1A1KDM4EHSD17B10HPGDCACNA1H
	SCHEMBL22802480	0.81	CACNA1H (0.39)	ALDH1A1KDM4EHSD17B10CACNA1HMAPK1
	SCHEMBL21596827	0.80	CACNA1H (0.41)	ALDH1A1KDM4EHSD17B10CACNA1HMAPK1
	SCHEMBL15955655	0.77	CACNA1H (0.39)	ALDH1A1KDM4EHSD17B10CACNA1HMAPK1
	SCHEMBL31432491	0.77	CACNA1H (0.39)	ALDH1A1KDM4EHSD17B10HPGDCACNA1H
	SCHEMBL15955546	0.77	TNKS2 (0.41)	ALDH1A1HSD17B10CACNA1HMAPK1CYP1A2
	SCHEMBL25564462	0.74	CYP3A4 (0.45)	ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2

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 (4 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.