SCHEMBL4834945

SCHEMBL4834945

CCCCC(O)c1cccc(Br)c1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 5/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PDE5A O76074 1/20 0.33
GRM2 Q14416 1/20 0.33
TOP1 P11387 1/20 0.32
SOAT1 P35610 1/20 0.32
PTGES O14684 3/20 0.31
ALOX5 P09917 3/20 0.31
PPARA Q07869 3/20 0.31
F2R P25116 1/20 0.31

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
SCHEMBL30735341 0.91 CYP11B1 (0.34) ALDH1A1MEN1KMT2APPARG
SCHEMBL15094197 0.84 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2APPARG
SCHEMBL6055391 0.82 PPARG (0.38) KDM4EALDH1A1PPARGPDE5APTGES
SCHEMBL21605359 0.79 ALDH1A1 (0.36) KDM4EALDH1A1MEN1KMT2APPARG
SCHEMBL27623533 0.79 CA1 (0.34) KDM4EALDH1A1MEN1KMT2APPARG
SCHEMBL10060891 0.79 PPARG (0.45) KDM4EALDH1A1MEN1KMT2APPARG
SCHEMBL9646398 0.77 PPARG (0.47) MEN1KMT2APPARGSOAT1PPARA
SCHEMBL6152931 0.77 PPARG (0.47) MEN1KMT2APPARGSOAT1PPARA
SCHEMBL8499483 0.77 PPARG (0.47) MEN1KMT2APPARGSOAT1PPARA
SCHEMBL8216569 0.77 ALDH1A1 (0.46) KDM4EALDH1A1PPARGCA2TOP1

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 7 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
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 KDM4E 3317/4885ALDH1A1 903/4885MEN1 4719/4885

“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.