SCHEMBL4545404

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
	SCHEMBL31225941	1.00	CA2 (0.54)	CA2CA1HSD17B2SIGMAR1CYP1A2
	SCHEMBL31225825	0.89	SIGMAR1 (0.41)	CA2SIGMAR1CYP1A2CYP2D6TSHR
	SCHEMBL22046620	0.86	BACE1 (0.45)	CA2CA1ALDH1A1
	SCHEMBL18790062	0.82	CA2 (0.45)	CA2CA1HSD17B2SIGMAR1CYP1A2
	SCHEMBL31225832	0.82	SIGMAR1 (0.40)	SIGMAR1CYP1A2CYP2D6TSHRALDH1A1
	SCHEMBL499428	0.81	KMT2A (0.46)	TSHRALDH1A1
	SCHEMBL7522573	0.81	TSHR (0.58)	HSD17B2TSHRALDH1A1GAA
	SCHEMBL9465229	0.80	MGLL (0.48)	TSHRALDH1A1KDM4E
	SCHEMBL13702252	0.79	POLB (0.43)	CA2CA1TSHRALDH1A1KDM4E
	SCHEMBL31225767	0.79	P2RX7 (0.47)	—

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 50 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 (9 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.