SCHEMBL4835904

SCHEMBL4835904

CCCC[C@@H](O)c1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.39
ADRB1 P08588 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNH2 Q12809 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
RIPK1 Q13546 1/20 0.33
UCHL1 P09936 1/20 0.32
USP5 P45974 1/20 0.32
USP9X Q93008 1/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 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
SCHEMBL4837461 1.00 IRAK4 (0.39) IRAK4ADRB1ALDH1A1KDM4EKCNH2
SCHEMBL4840772 1.00 IRAK4 (0.39) IRAK4ADRB1ALDH1A1KDM4EKCNH2
SCHEMBL4835739 0.91 IRAK4 (0.40) IRAK4ADRB1ALDH1A1CHRNB2CHRNA4
SCHEMBL9992323 0.84 IRAK4 (0.42) IRAK4ADRB1ALDH1A1CHRNB2CHRNA4
SCHEMBL21010067 0.84 IRAK4 (0.42) IRAK4ADRB1ALDH1A1CHRNB2CHRNA4
SCHEMBL948370 0.81 HTT (0.39) ADRB1ALDH1A1KDM4EKCNH2TP53
SCHEMBL4835409 0.80 IRAK4 (0.40) IRAK4ADRB1ALDH1A1CHRNB2CHRNA4
SCHEMBL14382143 0.79 ADRB1 (0.37) IRAK4ADRB1ALDH1A1KDM4EKCNH2
SCHEMBL805862 0.78 SCN9A (0.41) IRAK4ADRB1S1PR2S1PR4S1PR3
SCHEMBL29651973 0.78 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 5 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
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 3642/4885ADRB1 266/4885ALDH1A1 903/4885

“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.