SCHEMBL685902

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
	SCHEMBL29030377	0.86	TRPA1 (0.50)	TRPA1APPMAPTALDH1A1NFKB1
	SCHEMBL31518926	0.86	JUN (0.55)	TRPA1ALDH1A1NFKB1JUNALOX5
	SCHEMBL726364	0.86	JUN (0.55)	TRPA1ALDH1A1NFKB1JUNALOX5
	SCHEMBL3399371	0.84	ALDH1A1 (0.66)	TRPA1APPMAPTALDH1A1HPGD
	SCHEMBL727002	0.81	JUN (0.68)	TRPA1ALDH1A1TDP1NFKB1JUN
	SCHEMBL18130050	0.81	IAPP (0.57)	APPMAPTALDH1A1HPGDTDP1
	SCHEMBL2144094	0.81	JUN (0.59)	TRPA1ALDH1A1HPGDTDP1NFKB1
	SCHEMBL18130051	0.81	IAPP (0.57)	APPMAPTALDH1A1HPGDTDP1
	SCHEMBL30940354	0.81	IAPP (0.57)	APPMAPTALDH1A1HPGDTDP1
	SCHEMBL31260194	0.81	JUN (0.68)	TRPA1ALDH1A1TDP1NFKB1JUN

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 87 patents — showing the first 20. 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 (4 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.