SCHEMBL21872091

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
	SCHEMBL21872207	0.86	ESR2 (0.40)	ESR2AKR1C2AKR1C1CYP1A2ALDH1A1
	SCHEMBL8674451	0.77	CA1 (0.44)	ALDH1A1PTGS2KDM4EHTTSMN1; SMN2
	SCHEMBL19078687	0.77	ESR2 (0.52)	ESR2CYP1A2PTGS2CYP2C9CYP2C19
	SCHEMBL22004194	0.77	CA1 (0.55)	ESR2AKR1C2AKR1C1CYP1A2HTT
	SCHEMBL22141287	0.76	ESR2 (0.50)	ESR2AKR1C2AKR1C1CYP1A2ALDH1A1
	SCHEMBL1697200	0.76	ESR2 (0.50)	ESR2AKR1C2AKR1C1CYP1A2ALDH1A1
	SCHEMBL9747112	0.76	AHR (0.58)	ESR2ALDH1A1PTGS2KDM4EHTT
	SCHEMBL17878525	0.76	AKR1C2 (0.43)	AKR1C2AKR1C1CYP1A2ALDH1A1PTGS2
	SCHEMBL40528	0.75	PTGS2 (0.58)	CYP1A2ALDH1A1PTGS2MEN1KMT2A
	SCHEMBL4458296	0.75	AHR (0.64)	ESR2AKR1C2AKR1C1CYP1A2ALDH1A1

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 1 patent. 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 (1 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.