SCHEMBL4511068

SCHEMBL4511068

C=COCC.CCOC(C)OC[C@H]1CCCC(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4511069 1.00 IRAK4 (0.33) IRAK4
SCHEMBL4378117 0.90 IRAK4 (0.37) IRAK4
SCHEMBL4378128 0.90 IRAK4 (0.37) IRAK4
SCHEMBL9865626 0.81 LMNA (0.39) IRAK4
SCHEMBL5215585 0.81 LMNA (0.39) IRAK4
SCHEMBL5505248 0.77
SCHEMBL22354600 0.75 IRAK4 (0.42) IRAK4
SCHEMBL5994524 0.75 IRAK4 (0.42) IRAK4
SCHEMBL14285588 0.70 IRAK4 (0.41) IRAK4
SCHEMBL5991543 0.70 IRAK4 (0.41) IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547685-B2 Therapeutic substituted pyrrolidone compounds ALLERGAN, INC. (US) 2009-06-16 US disclosed
US-20080015239-A1 Therapeutic Substituted Pyrrolidone Compounds ALLERGAN, INC. 2008-01-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015239-A1 Therapeutic Substituted Pyrrolidone Compounds TPMT, TYMP, PIGO IRAK4 3570/4885

“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.