SCHEMBL2089059

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
	SCHEMBL2096154	0.79	CES2 (0.58)	ALDH1A1PDE4APDE4BPDE4CPDE4D
	SCHEMBL2093782	0.78	NPC1 (0.38)	ALDH1A1SMN1; SMN2KMT2AGAANPC1
	SCHEMBL2091071	0.77	CA1 (0.54)	ALDH1A1SMN1; SMN2NPC1RAB9ATP53
	SCHEMBL2096862	0.74	ALDH1A1 (0.52)	ALDH1A1PDE4APDE4BPDE4CPDE4D
	SCHEMBL20331772	0.74	ALDH1A1 (0.46)	ALDH1A1PDE4APDE4BPDE4CPDE4D
	SCHEMBL2093047	0.73	MEN1 (0.40)	ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
	1,3,5-Trimethoxybenzene SCHEMBL28493	0.71	ALDH1A1 (1.00)	ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
	SCHEMBL40552	0.70	ALDH1A1 (0.61)	ALDH1A1PDE4APDE4BPDE4CPDE4D
	SCHEMBL25508540	0.70	CES2 (0.64)	ALDH1A1CYP1A1CYP1B1SMN1; SMN2KMT2A
	Methyl 3,5-Dimethoxybenzoate SCHEMBL204865	0.70	CA1 (0.61)	ALDH1A1SMN1; SMN2KMT2AGAANPC1

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 5 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.