SCHEMBL1017809

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
	SCHEMBL1017888	0.89	HRH3 (0.38)	PARP1HRH3KDM4EALDH1A1ENPP2
	SCHEMBL1014079	0.87	HRH3 (0.41)	PARP1HRH3KDM4EALDH1A1
	SCHEMBL1015782	0.86	HRH3 (0.40)	PARP1HRH3KDM4EALDH1A1
	SCHEMBL1014254	0.85	HRH3 (0.38)	PARP1HRH3KDM4EALDH1A1
	SCHEMBL1068751	0.85	HRH3 (0.41)	MAP4K4PARP1HRH3KDM4EALDH1A1
	SCHEMBL1018305	0.82	HRH3 (0.38)	PARP1HRH3KDM4EALDH1A1
	SCHEMBL1018360	0.82	KDM4E (0.46)	PARP1HRH3KDM4EALDH1A1
	SCHEMBL1016326	0.82	HRH3 (0.45)	HRH3
	SCHEMBL1603784	0.82	HRH3 (0.39)	MAP4K4PARP1HRH3KDM4EALDH1A1
	SCHEMBL1017977	0.82	IRAK4 (0.42)	PARP1HRH3KDM4EALDH1A1IRAK4

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 12 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.