SCHEMBL21054644

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
	SCHEMBL21054627	0.89	AKR1C3 (0.51)	ABCG2AKR1C3AKR1C2TEAD1YAP1
	SCHEMBL30062663	0.89	AKR1C3 (0.51)	ABCG2AKR1C3AKR1C2TEAD1YAP1
	SCHEMBL21090678	0.89	ABCG2 (0.46)	ABCG2MAPK14AKR1C3AKR1C2ABCB1
	SCHEMBL30061311	0.89	ABCG2 (0.46)	ABCG2MAPK14AKR1C3AKR1C2ABCB1
	SCHEMBL30061347	0.89	ABCG2 (0.44)	ABCG2AKR1C3AKR1C2TEAD1YAP1
	SCHEMBL21054684	0.89	AKR1C3 (0.47)	AKR1C3AKR1C2SCN9A
	SCHEMBL21090761	0.89	ABCG2 (0.44)	ABCG2AKR1C3AKR1C2TEAD1YAP1
	SCHEMBL25791011	0.89	TP53 (0.41)	ABCG2MAPK14AKR1C3AKR1C2TLR2
	SCHEMBL30062661	0.88	AKR1C3 (0.45)	ABCG2AKR1C3AKR1C2TEAD1YAP1
	SCHEMBL21054808	0.88	AKR1C3 (0.45)	ABCG2AKR1C3AKR1C2TEAD1YAP1

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 6 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 (2 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.