SCHEMBL21830

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
	SCHEMBL187295	0.86	CYP1A2 (0.47)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	SCHEMBL21387	0.85	CYP4F2 (0.47)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	SCHEMBL14731557	0.84	CYP1A2 (0.41)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	Bromide SCHEMBL14722907	0.83	CYP1A2 (0.40)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	SCHEMBL16016754	0.83	CYP1A2 (0.43)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	SCHEMBL14731592	0.81	CYP1A2 (0.39)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	SCHEMBL16258586	0.80	CYP1A2 (0.41)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	SCHEMBL2141682	0.79	CYP1A2 (0.46)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	SCHEMBL282083	0.78	CYP1A2 (0.61)	CYP1A2ALDH1A1TRPA1NR1I2PGR
	Bromide SCHEMBL16010201	0.78	ATM (0.37)	CYP1A2ALDH1A1GAACYP3A4TDP1

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 19 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 (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.