SCHEMBL1017944

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
	SCHEMBL1014678	0.90	ALDH1A1 (0.47)	HRH3THRBKDM2BL3MBTL3L3MBTL1
	SCHEMBL1017172	0.89	KDM2B (0.45)	HRH3KDM2BL3MBTL3L3MBTL1ALDH1A1
	SCHEMBL1017100	0.88	HRH3 (0.54)	HRH3KDM2BNAMPTL3MBTL3L3MBTL1
	SCHEMBL1018194	0.88	ALDH1A1 (0.45)	HRH3OGFRL1KDM2BALDH1A1KDM4E
	SCHEMBL1020245	0.87	HRH3 (0.44)	HRH3KDM2BL3MBTL3L3MBTL1ALDH1A1
	SCHEMBL12953761	0.87	HDAC6 (0.43)	HRH3KDM2BNAMPTL3MBTL3L3MBTL1
	SCHEMBL1017553	0.86	HRH3 (0.50)	HRH3NAMPTL3MBTL3L3MBTL1ALDH1A1
	SCHEMBL1017588	0.86	MTNR1B (0.52)	HRH3ALDH1A1KMT2ATSHR
	SCHEMBL12953017	0.85	ALDH1A1 (0.43)	ACACBHRH3KDM2BL3MBTL3L3MBTL1
	SCHEMBL1082144	0.84	HDAC6 (0.44)	HRH3KDM2BNAMPTALDH1A1KDM4E

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 13 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.