SCHEMBL3587979

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
	SCHEMBL3576498	0.91	RXRA (0.41)	PTGS2ALDH1A1RXRANR1H2NR1H3
	SCHEMBL15459634	0.89	HPGD (0.39)	PDK2HPGDNPC1RAB9ASMN1; SMN2
	SCHEMBL3473241	0.83	RXRA (0.54)	PDK2PTGS2HPGDRAB9AALDH1A1
	SCHEMBL13462453	0.80	PDK2 (0.35)	PDK2PTGS2HPGDNPC1RAB9A
	SCHEMBL3473684	0.73	RXRA (0.56)	PTGS2RXRANR1H2NR1H3STIM1
	SCHEMBL14623674	0.71	RXRA (0.41)	PDK2PTGS2HPGDNPC1RAB9A
	SCHEMBL3582716	0.70	RXRA (0.42)	PTGS2RXRANR1H2NR1H3
	SCHEMBL14621333	0.70	RXRA (0.45)	PTGS2RXRANR1H2NR1H3
	SCHEMBL3582884	0.70	RXRA (0.38)	PTGS2RXRANR1H2NR1H3
	SCHEMBL3589643	0.69	RXRA (0.39)	PTGS2RXRANR1H2NR1H3MAT2A

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 15 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.