SCHEMBL1680712

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
	SCHEMBL11102988	0.95	TSHR (0.61)	CYP2A6TSHRHSD17B10LOXL2KCNJ1
	SCHEMBL11617640	0.90	LOXL2 (0.52)	CYP2A6TSHRHSD17B10LOXL2KCNJ1
	SCHEMBL13344429	0.87	CYP2A6 (0.55)	CYP2A6TSHRHSD17B10LOXL2KCNJ1
	SCHEMBL11104834	0.85	TSHR (0.67)	CYP2A6TSHRHSD17B10PTGESALOX5
	SCHEMBL11103383	0.84	TSHR (0.69)	CYP2A6TSHRHSD17B10CYP19A1PTGES
	SCHEMBL24685293	0.83	CYP2A6 (0.55)	CYP2A6TSHRHSD17B10LOXL2MAOA
	SCHEMBL11110617	0.82	TSHR (0.72)	CYP2A6TSHRHSD17B10CYP19A1ALDH1A1
	SCHEMBL11100351	0.82	TSHR (0.72)	CYP2A6TSHRHSD17B10CYP19A1ALDH1A1
	SCHEMBL11109906	0.82	TSHR (0.72)	CYP2A6TSHRHSD17B10CYP19A1ALDH1A1
	SCHEMBL11103216	0.82	TSHR (0.72)	CYP2A6TSHRHSD17B10CYP19A1ALDH1A1

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 9 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.