SCHEMBL4050330

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
	SCHEMBL4973490	0.78	ALDH1A1 (0.43)	NPC1KDM4ERAB9AKMT2AL3MBTL1
	SCHEMBL31517695	0.78	NPC1 (0.46)	NPC1NISCHKDM4ERAB9APKM
	SCHEMBL4400229	0.78	NPC1 (0.46)	NPC1NISCHKDM4ERAB9APKM
	SCHEMBL468098	0.72	NPC1 (0.42)	NPC1RAB9AKMT2AL3MBTL1SMN1; SMN2
	SCHEMBL4695390	0.72	—	—
	SCHEMBL184122	0.71	CYP2A6 (0.30)	—
	SCHEMBL1202032	0.69	IDO1 (0.43)	NPC1NISCHKDM4ERAB9APKM
	SCHEMBL4044285	0.69	MEN1 (0.43)	NPC1RAB9AKMT2AHDAC1HDAC6
	SCHEMBL9341878	0.69	KDM4E (0.54)	NPC1KDM4ERAB9APKML3MBTL1
	SCHEMBL28296096	0.69	NPC1 (0.50)	NPC1KDM4ERAB9APKMKMT2A

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 8 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.