SCHEMBL4839737

SCHEMBL4839737

CCCCC(OC(C)=O)c1cccc(Br)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
UCHL1 P09936 1/20 0.34
USP5 P45974 1/20 0.34
USP9X Q93008 1/20 0.34
ALOX5 P09917 4/20 0.34
PTGES O14684 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPARG P37231 3/20 0.32
PSEN1 P49768 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4839728 1.00 IRAK4 (0.36) IRAK4CHRNB2CHRNA4UCHL1USP5
SCHEMBL8891659 0.85 IRAK4 (0.36) IRAK4ALOX5ALDH1A1PPARG
SCHEMBL8893092 0.85 IRAK4 (0.36) IRAK4ALOX5ALDH1A1PPARG
SCHEMBL17441067 0.82 IRAK4 (0.36) IRAK4CHRNB2CHRNA4ALOX5ALDH1A1
SCHEMBL17440806 0.77 IRAK4 (0.38) IRAK4CHRNB2CHRNA4ALDH1A1
SCHEMBL24012872 0.76 IRAK4 (0.39) IRAK4CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL4835904 0.76 IRAK4 (0.39) IRAK4CHRNB2CHRNA4UCHL1USP5
SCHEMBL4840772 0.76 IRAK4 (0.39) IRAK4CHRNB2CHRNA4UCHL1USP5
SCHEMBL24012874 0.76 IRAK4 (0.39) IRAK4CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL4837461 0.76 IRAK4 (0.39) IRAK4CHRNB2CHRNA4UCHL1USP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1513526-B1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2007-11-07 EP disclosed
US-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2006-04-27 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-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators LIPA, PNLIP, CEL IRAK4 3642/4885CHRNB2 3675/4885CHRNA4 3818/4885

“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.