SCHEMBL5331753

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
	SCHEMBL5332117	0.81	PARP1 (0.45)	HSP90AA1HSP90AB1PIK3R1PIK3CABUB1
	SCHEMBL5330620	0.78	BRD4 (0.55)	CA12CA9BRD4CREBBP
	SCHEMBL22036737	0.77	HSP90AA1 (0.53)	HSP90AA1HSP90AB1PIK3R1PIK3CABUB1
	SCHEMBL5327530	0.75	AURKA (0.48)	AURKAKDRCDK1CA12CA9
	SCHEMBL5333314	0.74	KDR (0.52)	AURKAKDRCA12CA9PIM1
	SCHEMBL18812369	0.72	HSP90AA1 (0.49)	HSP90AA1HSP90AB1PIK3R1PIK3CABUB1
	SCHEMBL24697208	0.71	HSP90AA1 (0.48)	HSP90AA1HSP90AB1PIK3R1PIK3CABUB1
	SCHEMBL26819799	0.71	PIK3R1 (0.54)	HSP90AA1HSP90AB1PIK3R1PIK3CABUB1
	SCHEMBL31283508	0.71	BUB1 (0.44)	HSP90AA1HSP90AB1BUB1MAPK1GPR119
	SCHEMBL15417099	0.71	HSP90AA1 (0.53)	HSP90AA1HSP90AB1PIK3R1PIK3CABUB1

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 (1 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.