SCHEMBL4839441

SCHEMBL4839441

CCCCC(O)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 4/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL3840227 0.93 CYP1A2 (0.44) ALDH1A1CYP2D6CYP1A2CYP2C19CYP3A4
SCHEMBL16596410 0.93 CYP1A2 (0.44) ALDH1A1CYP2D6CYP1A2CYP2C19CYP3A4
SCHEMBL8500559 0.93 CYP1A2 (0.44) ALDH1A1CYP2D6CYP1A2CYP2C19CYP3A4
SCHEMBL6685361 0.91 SLC18A3 (0.43) ALDH1A1SLC18A3SIGMAR1CYP2D6CYP3A4
SCHEMBL31138108 0.83 LMNA (0.57) ALDH1A1SLC18A3SIGMAR1CYP2D6CYP3A4
SCHEMBL6683467 0.83 LMNA (0.57) ALDH1A1SLC18A3SIGMAR1CYP2D6CYP3A4
SCHEMBL28448691 0.82 KDM4E (0.49) KDM4ECYP2D6CYP1A2MAPK1MEN1
SCHEMBL3457618 0.82 SLC18A3 (0.41) SLC18A3SIGMAR1CYP2D6CYP3A4LMNA
SCHEMBL16335035 0.82 AOC3 (0.42) ALDH1A1SLC18A3SIGMAR1CYP2D6CYP3A4
SCHEMBL3183753 0.81 SLC18A3 (0.43) SLC18A3SIGMAR1CYP2D6CYP3A4LMNA

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 14 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
CN-1674897-A Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as HPPAR activators SMITHKLINE BEECHAM CORP (US) 2005-09-28 CN disclosed
EP-1513526-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
WO-2004000315-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 WO disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-4794188-A LIPOXYGENASE INHIBITORS USV PHARMACEUTICAL CORPORATION (US) 1988-12-27 US disclosed
US-4778931-A ENZYME INHIBITORS USV PHARMACEUTICAL CORPORATION (US) 1988-10-18 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 ALDH1A1 903/4885KDM4E 3317/4885SLC18A3 2375/4885

“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.