SCHEMBL4014182

SCHEMBL4014182

COC(=O)Cc1ccc(CC(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
ALDH1A1 P00352 2/20 0.55
CXCR1 P25024 3/20 0.54
CXCR2 P25025 3/20 0.54
LMNA P02545 3/20 0.52
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
ALOX5 P09917 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50

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
SCHEMBL25146342 0.95 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1CXCR1CXCR2
SCHEMBL17562150 0.86 PTGS1 (0.52) CXCR1CXCR2LMNAPTGS1PTGS2
SCHEMBL4113212 0.85 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1LMNAGAA
SCHEMBL8735791 0.85 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL13754673 0.85 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL20106680 0.84 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1LMNATSHR
SCHEMBL9647588 0.84 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1LMNAGAA
SCHEMBL14204684 0.82 SLC7A5 (0.68) CYP4F2CYP4A11ALDH1A1CXCR1CXCR2
SCHEMBL7930119 0.81 ADRB2 (0.52) CYP4F2CYP4A11ALDH1A1CXCR1CXCR2
SCHEMBL8252200 0.81 CYP4Z1 (0.51) CYP4F2CYP4A11CXCR1CXCR2LMNA

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 WO disclosed
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 US disclosed
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 US disclosed
US-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 US disclosed
US-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 US disclosed
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 US disclosed
EP-2799422-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER National University Corporation Nagoya University (JP) 2014-11-05 EP disclosed
US-8778298-B2 Isotope labeled 2-arylpropionic acid compounds and process for production of same, and molecular probe for positron emission tomography and method for imaging of cyclooxygenase and the like using same RIKEN (JP) 2014-07-15 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
EP-2463263-B1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME RIKEN (JP) 2014-04-23 EP disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7091230-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2006-06-08 US disclosed
EP-1366012-A4 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO INC (US) 2005-11-02 EP disclosed
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2004-05-13 US disclosed
EP-1366012-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-12-03 EP disclosed
WO-2002064094-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
US-4307034-A ALKYLATION IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-12-22 US disclosed
US-4150137-A ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1979-04-17 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 (5 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 CYP4F2 340/4885CYP4A11 30/4885ALDH1A1 452/4885
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R CYP4F2 404/4885CYP4A11 164/4885ALDH1A1 490/4885
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R CYP4F2 404/4885CYP4A11 164/4885ALDH1A1 490/4885
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD CYP4F2 1228/4885CYP4A11 409/4885ALDH1A1 650/4885
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD CYP4F2 1551/4885CYP4A11 338/4885ALDH1A1 953/4885

“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.