SCHEMBL4835984

SCHEMBL4835984

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.38
HTR7 P34969 2/20 0.33
MCHR1 Q99705 1/20 0.33
TSHR P16473 1/20 0.33
ADRB1 P08588 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP1A2 P05177 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 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
SCHEMBL4838724 1.00 IRAK4 (0.38) IRAK4HTR7MCHR1TSHRADRB1
SCHEMBL4837765 1.00 IRAK4 (0.38) IRAK4HTR7MCHR1TSHRADRB1
SCHEMBL14382163 0.82 HTT (0.37) MCHR1TSHRADRB1CYP1A2ALDH1A1
SCHEMBL9992323 0.81 IRAK4 (0.42) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL21010067 0.81 IRAK4 (0.42) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL14382032 0.81 MCHR1 (0.33) MCHR1TSHRADRB1CYP1A2
SCHEMBL14382167 0.81 MCHR1 (0.33) MCHR1TSHRADRB1CYP1A2
SCHEMBL4835739 0.78 IRAK4 (0.40) IRAK4HTR7ADRB1CHRNB2CHRNA4
SCHEMBL4835904 0.77 IRAK4 (0.39) IRAK4HTR7TSHRADRB1CHRNB2
SCHEMBL4840772 0.77 IRAK4 (0.39) IRAK4HTR7TSHRADRB1CHRNB2

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
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
EP-1500493-A1 Colour-laminated bitumen web Lucobit AG (DE) 2005-01-26 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 172/4885MCHR1 3076/4885

“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.