SCHEMBL547849

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
	SCHEMBL4969374	0.78	TSHR (0.55)	TSHRCYP2A6ACHETDP1CA1
	P-Xylene SCHEMBL28307965	0.77	CYP2A6 (0.50)	TSHRCYP2A6ACHETDP1CA1
	SCHEMBL28142551	0.76	TSHR (0.52)	TSHRCYP2A6ACHETDP1CA1
	SCHEMBL16147297	0.76	CA2 (0.48)	TSHRCYP2A6ACHETDP1CA1
	SCHEMBL9163519	0.74	TSHR (0.50)	TSHRCYP2A6ACHETDP1CA1
	P-Xylene SCHEMBL27691132	0.74	ACHE (0.61)	TSHRCYP2A6ACHETDP1CA1
	SCHEMBL548046	0.73	ALDH1A1 (0.43)	TSHRCYP2A6TDP1CA1CA2
	SCHEMBL11209930	0.73	TSHR (0.55)	TSHRCYP2A6ACHETDP1CA1
	P-Xylene SCHEMBL5241939	0.71	CYP2A6 (0.58)	TSHRCYP2A6ACHETDP1CA1
	SCHEMBL11878908	0.71	TSHR (0.71)	TSHRACHETDP1CA1CA2

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 21 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 (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.