SCHEMBL21114705

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
	SCHEMBL21114641	0.86	ALDH1A1 (0.45)	ALDH1A1KCNK3KCNK9MAPTLMNA
	SCHEMBL21114553	0.83	HCRTR1 (0.43)	ALDH1A1KCNK3KCNK9MAPTLMNA
	SCHEMBL21114645	0.81	PRSS1 (0.35)	ALDH1A1MAPTLMNAKMT2AMEN1
	SCHEMBL21114540	0.76	ALDH1A1 (0.45)	ALDH1A1MAPTLMNAKMT2AMEN1
	SCHEMBL20981405	0.76	IRAK4 (0.58)	IRAK4IDO1TDO2ALDH1A1ACHE
	SCHEMBL21114562	0.74	IRAK4 (0.53)	IRAK4IDO1TDO2ALDH1A1ACHE
	SCHEMBL21114590	0.72	IRAK4 (0.57)	IRAK4IDO1TDO2ALDH1A1ACHE
	SCHEMBL3261086	0.71	IRAK4 (0.59)	IRAK4IDO1TDO2ALDH1A1ACHE
	SCHEMBL21114592	0.69	IRAK4 (0.47)	IRAK4IDO1TDO2ALDH1A1ACHE
	SCHEMBL28293902	0.69	IRAK4 (0.70)	IRAK4IDO1TDO2ALDH1A1ACHE

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 6 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.