SCHEMBL4835409

SCHEMBL4835409

COCCC(O)c1cccc(Br)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
HTR7 P34969 2/20 0.36
ADRB1 P08588 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RIPK1 Q13546 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
GRM5 P41594 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
KCNA5 P22460 1/20 0.30
CASR P41180 1/20 0.30
LMNA P02545 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL4835739 0.81 IRAK4 (0.40) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL4837461 0.80 IRAK4 (0.39) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL4840772 0.80 IRAK4 (0.39) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL4835904 0.80 IRAK4 (0.39) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL8892818 0.78 IRAK4 (0.42) IRAK4ALDH1A1
SCHEMBL8891780 0.78 IRAK4 (0.42) IRAK4ALDH1A1
SCHEMBL21010067 0.78 IRAK4 (0.42) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL9992323 0.78 IRAK4 (0.42) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL988506 0.76 IRAK4 (0.41) IRAK4HTR7CHRNB2CHRNA4ALDH1A1
SCHEMBL805862 0.75 SCN9A (0.41) IRAK4ADRB1S1PR2S1PR4S1PR3

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 8 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
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
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
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
EP-1513526-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000315-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 WO 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 3642/4885HTR7 172/4885ADRB1 266/4885

“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.