SCHEMBL533100

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
	SCHEMBL29993075	0.84	AHR (0.55)	AHRFFAR1KMOEGLN2CYP1B1
	SCHEMBL533894	0.83	NISCH (0.46)	AHRKMOPTGS1PTGS2KCNH2
	SCHEMBL533709	0.80	CYP11B1 (0.46)	KMOPGRKIF11CYP11B1CYP11B2
	SCHEMBL533972	0.80	AHR (0.67)	AHRKMOCYP1B1PGRESR2
	SCHEMBL31067094	0.80	AHR (0.46)	AHRFFAR1KMOEGLN2CYP1B1
	SCHEMBL1042848	0.78	ESR2 (0.52)	AHRFFAR1KMOEGLN2ERCC5
	Hydrochloric Acid SCHEMBL8019894	0.78	AHR (0.64)	AHRKMOCYP1B1PGRESR2
	Fluoride SCHEMBL8022725	0.78	AHR (0.64)	AHRKMOCYP1B1PGRESR2
	Methane SCHEMBL8006386	0.78	AHR (0.64)	AHRKMOCYP1B1PGRESR2
	SCHEMBL30936103	0.78	ESR2 (0.52)	AHRFFAR1KMOEGLN2ERCC5

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 23 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 (5 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.