SCHEMBL4368301

SCHEMBL4368301

CC(O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.55
LTA4H P09960 5/20 0.52
TSHR P16473 1/20 0.52
NR1H2 P55055 1/20 0.52
BAX Q07812 1/20 0.52
ACACB O00763 2/20 0.51
ACACA Q13085 2/20 0.51
UGT2B7 P16662 1/20 0.50
PTGS1 P23219 1/20 0.49
NPY5R Q15761 4/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAOA P21397 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46

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
Hydrochloric Acid SCHEMBL8692147 0.98 SRD5A2 (0.53) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL4941225 0.91 UGT2B7 (0.46) SRD5A2LTA4HTSHRACACBACACA
Diphenylether SCHEMBL29076650 0.84 LTA4H (0.67) SRD5A2LTA4HTSHRNR1H2BAX
Diphenylether SCHEMBL11134302 0.84 LTA4H (0.67) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL11531206 0.83 NPY5R (0.53) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL28633577 0.83 NPY5R (0.53) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL14222884 0.83 ESR1 (0.61) LTA4HNR1H2BAXUGT2B7
SCHEMBL9923547 0.83 TEAD4 (0.50) SRD5A2UGT2B7ALDH1A1HTT
SCHEMBL18383080 0.83 LTA4H (0.56) LTA4HTSHRCA1CA2ALDH1A1
SCHEMBL172607 0.82 LTA4H (0.57) SRD5A2LTA4HTSHRNR1H2BAX

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243547-A1 LINEAR (PER) FLUOROPOLYETHERS WITH -CF(CF3)COF END GROUPS AND DERIVATIVES THEREOF SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2014-08-28 US disclosed
EP-2562165-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed
US-8278256-B2 Fluorinated lubricants SOLVAY SOLEXIS S.P.A. (IT) 2012-10-02 US disclosed
US-8217119-B2 Additives for halopolymers SOLVAY SOLEXIS S.P.A. (IT) 2012-07-10 US disclosed
US-20100069275-A1 Fluorinated lubricants SOLVAY SOLEXIS S.P.A. (IT) 2010-03-18 US disclosed
US-20090326154-A1 Additives for Halopolymers SOLVAY SOLEXIS S.P.A. (IT) 2009-12-31 US disclosed
US-7629483-B2 Peroxidic perfluoropolyethers SOLVAY SOLEXIS S.P.A. (IT) 2009-12-08 US disclosed
EP-2055378-A1 Method for preparing ruthenium-carrying alumina and method for oxidizing alcohol Sumitomo Chemical Company, Limited (JP) 2009-05-06 EP disclosed
EP-1500432-B1 METHOD FOR OXIDIZING ALCOHOL ON A RUTHENIUM-CARRYING ALUMINA CATALYST SUMITOMO CHEMICAL CO (JP) 2009-04-22 EP disclosed
US-20080194881-A1 Copolymers having functional end groups of sulfonyl fluorides and acyl fluorides; macromer promoters useful for both condensation and addition polymerizations for elastomers and polymershaving a crystal structure; mechanical properties; lubricants for magnetic disks; adhesives SOLVAY SOLEXIS S.P.A. (IT) 2008-08-14 US disclosed
US-7371900-B2 Peroxidic perfluoropolyethers SOLVAY SOLEXIS S.P.A. (IT) 2008-05-13 US disclosed
US-7365229-B2 Peroxidic perfluoropolyethers SOLVAY SOLEXIS S.P.A. (IT) 2008-04-29 US disclosed
US-7169954-B2 Method for preparing ruthenium-carrying alumina and method for oxidizing alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-30 US disclosed
US-20060094899-A1 Process for preparing ruthenium-carrying alumina and process for oxidizing alcohol SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-04 US disclosed
EP-1500432-A1 METHOD FOR PREPARING RUTHENIUM-CARRYING ALUMINA AND METHOD FOR OXIDIZING ALCOHOL Sumitomo Chemical Company, Limited (JP) 2005-01-26 EP disclosed
US-20040204597-A1 Method for preparing ruthenium-carrying alumina and method for oxidizing alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-10-14 US disclosed
US-5859020-A INSECTICIDES, MITICIDES, FUNGICIDES, NEMATOCIDES HOECHST SCHERING AGREVO GMBH (DE) 1999-01-12 US disclosed
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 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 (4 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-20140243547-A1 LINEAR (PER) FLUOROPOLYETHERS WITH -CF(CF3)COF END GROUPS AND DERIVATIVES THEREOF COXFA4, CYP4F3, ETFB SRD5A2 3418/4885LTA4H 1995/4885TSHR 4515/4885
US-20060094899-A1 Process for preparing ruthenium-carrying alumina and process for oxidizing alcohol ADH1A, ADH5, ADH7 SRD5A2 353/4885LTA4H 1061/4885TSHR 2537/4885
US-20040204597-A1 Method for preparing ruthenium-carrying alumina and method for oxidizing alcohol ADH1A, ADH7, ADH5 SRD5A2 328/4885LTA4H 963/4885TSHR 2161/4885
US-20080194881-A1 Copolymers having functional end groups of sulfonyl fluorides and acyl fluorides; macromer promoters useful for both condensation and addition polymerizations for elastomers and polymershaving a crystal structure; mechanical properties; lubricants for magnetic disks; adhesives FOXO1, FOXM1, F12 SRD5A2 1480/4885LTA4H 4150/4885TSHR 1254/4885

“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.