SCHEMBL1045015

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
	SCHEMBL1044650	0.78	PTGES2 (0.45)	GAAPTGES2GRIN1GRIN2BMPL
	SCHEMBL1044649	0.78	PTGES2 (0.45)	GAAPTGES2GRIN1GRIN2BMPL
	SCHEMBL1046100	0.77	KDM4E (0.33)	KDM4EGAAPTGES2GRIN1GRIN2B
	SCHEMBL1046098	0.77	KDM4E (0.33)	KDM4EGAAPTGES2GRIN1GRIN2B
	SCHEMBL16958972	0.73	PTGES2 (0.35)	KDM4EGAAPTGES2MPLALDH1A1
	SCHEMBL1045558	0.72	CYP1A1 (0.53)	KDM4EALDH1A1ABCG2CYP2D6
	SCHEMBL1045559	0.72	CYP1A1 (0.53)	KDM4EALDH1A1ABCG2CYP2D6
	SCHEMBL1045095	0.72	PIM1 (0.47)	EPHX2
	SCHEMBL1045096	0.72	PIM1 (0.47)	EPHX2
	SCHEMBL1044967	0.72	KDM4E (0.39)	KDM4EGAAMPLALDH1A1SCN9A

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 7 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 (2 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.