SCHEMBL21788015

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
	SCHEMBL7157289	0.93	ALDH1A1 (0.48)	ALDH1A1HPGDMAPTGAAGABRA1
	SCHEMBL17305019	0.92	ALDH1A1 (0.47)	ALDH1A1HPGDMAPTGAAGABRA1
	SCHEMBL9564988	0.85	ALDH1A1 (0.50)	ALDH1A1HPGDMAPTGAAMLYCD
	SCHEMBL5664687	0.83	ALDH1A1 (0.42)	ALDH1A1HPGDMAPTMLYCDNPC1
	SCHEMBL19835578	0.83	ALDH1A1 (0.64)	ALDH1A1MAPTMLYCDNPC1L3MBTL1
	SCHEMBL27369242	0.83	TPMT (0.45)	ALDH1A1HPGDMAPTMLYCDNPC1
	SCHEMBL14117677	0.83	CYP3A4 (0.43)	ALDH1A1HPGDMAPTMLYCDNPC1
	SCHEMBL7456186	0.83	ALDH1A1 (0.46)	ALDH1A1HPGDMAPTGAAMLYCD
	SCHEMBL17305016	0.83	POLB (0.53)	ALDH1A1HPGDMLYCDNPC1L3MBTL1
	SCHEMBL154607	0.83	HPGD (0.53)	ALDH1A1HPGDMAPTGAAL3MBTL1

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 12 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.