SCHEMBL503829

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
	SCHEMBL12340471	0.78	CYP1A2 (0.42)	CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
	SCHEMBL13693761	0.78	HTT (0.43)	CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
	SCHEMBL25581160	0.76	CYP1A2 (0.41)	CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
	SCHEMBL8407756	0.76	CYP1A2 (0.41)	CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
	SCHEMBL28539812	0.76	HPGD (0.52)	CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
	Bromide SCHEMBL28544715	0.74	HPGD (0.50)	CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
	SCHEMBL25356481	0.74	—	—
	SCHEMBL503673	0.72	—	—
	SCHEMBL16815474	0.67	PDPK1 (0.51)	CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
	SCHEMBL2830891	0.67	—	—

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 47 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 (3 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.