SCHEMBL21596799

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
	SCHEMBL21596790	0.85	ALDH1A1 (0.38)	CYP3A4CYP2C19CACNA1HMAPK1KDM4E
	SCHEMBL21596854	0.83	NPC1 (0.39)	MAPTCYP3A4CYP2C19CACNA1HMAPK1
	SCHEMBL22802480	0.79	CACNA1H (0.39)	MAPTCYP3A4CYP2C19KMT2ACACNA1H
	SCHEMBL12763938	0.79	PTGS2 (0.48)	CYP3A4CYP2C19MEN1KMT2ACACNA1H
	SCHEMBL21596827	0.77	CACNA1H (0.41)	MAPTCYP3A4CYP2C19CACNA1HMAPK1
	SCHEMBL15955655	0.75	CACNA1H (0.39)	MAPTCYP3A4CYP2C19CACNA1HMAPK1
	SCHEMBL15955546	0.75	TNKS2 (0.41)	CYP3A4CYP2C19KMT2ACACNA1HMAPK1
	SCHEMBL31432491	0.75	CACNA1H (0.39)	MAPTCYP3A4CYP2C19MEN1KMT2A
	SCHEMBL31432811	0.73	ALDH1A1 (0.42)	MAPTCYP3A4CYP2C19MEN1KMT2A
	SCHEMBL30545886	0.73	CACNA1H (0.44)	CACNA1HALDH1A1GAA

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 13 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.