SCHEMBL3674042

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
	SCHEMBL8097536	0.81	ALDH1A1 (0.46)	ALDH1A1NPC1EPHX2SLC22A2SLC47A1
	SCHEMBL28310832	0.78	KDM4E (0.42)	ALDH1A1NPC1KDM4EHTTEPHX2
	SCHEMBL28310872	0.77	KDM4E (0.42)	ALDH1A1NPC1KDM4EHTTEPHX2
	SCHEMBL136083	0.74	SLC22A2 (0.48)	ALDH1A1NPC1HTTEPHX2SLC22A2
	SCHEMBL332874	0.71	EPHX2 (0.43)	ALDH1A1NPC1EPHX2SLC22A2SLC47A1
	SCHEMBL14695859	0.71	SLC22A2 (0.50)	ALDH1A1NPC1EPHX2SLC22A2SLC47A1
	SCHEMBL135697	0.71	SLC22A2 (0.45)	ALDH1A1NPC1EPHX2SLC22A2SLC47A1
	Rimantadine SCHEMBL9091299	0.70	SLC22A2 (0.67)	ALDH1A1NPC1EPHX2SLC22A2SLC47A1
	SCHEMBL4075793	0.70	EPHX2 (0.72)	ALDH1A1NPC1HTTEPHX2MEN1
	SCHEMBL1089252	0.70	ALDH1A1 (0.50)	ALDH1A1NPC1EPHX2SLC22A2SLC47A1

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 6 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.