SCHEMBL126977

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
	SCHEMBL28328163	0.88	PAM (0.52)	ALDH1A1PAMDGKAMAPTMEN1
	SCHEMBL27573979	0.85	PAM (0.62)	ALDH1A1PAMDGKAMAPTMEN1
	SCHEMBL10446	0.84	ALDH1A1 (0.55)	ALDH1A1DGKAHDAC3HDAC1HDAC2
	SCHEMBL27697176	0.83	NAAA (0.39)	ALDH1A1PAMMEN1POLBKMT2A
	SCHEMBL11765115	0.82	ALDH1A1 (0.52)	ALDH1A1DGKAHDAC3HDAC1HDAC2
	Water SCHEMBL28271653	0.82	ALDH1A1 (0.52)	ALDH1A1HDAC3HDAC1HDAC2HDAC8
	SCHEMBL28813361	0.82	ALDH1A1 (0.52)	ALDH1A1HDAC3HDAC1HDAC2HDAC8
	Hydrochloric Acid SCHEMBL28392661	0.82	ALDH1A1 (0.52)	ALDH1A1HDAC3HDAC1HDAC2HDAC8
	SCHEMBL179682	0.82	CYP1A2 (0.39)	PAMMEN1KMT2AL3MBTL1HDAC3
	SCHEMBL20872192	0.82	HDAC3 (0.33)	ALDH1A1PAMMEN1KMT2AL3MBTL1

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 18 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 (18 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.