SCHEMBL523311

SCHEMBL523311

OCc1cc(F)c(CO)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
DPP4 P27487 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
CASP6 P55212 1/20 0.32
ILK Q13418 1/20 0.32

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
SCHEMBL1167126 0.94 DPP4 (0.41) GRIA1GRIA2GRIA3GRIA4DPP4
SCHEMBL29598381 0.94 DPP4 (0.41) GRIA1GRIA2GRIA3GRIA4DPP4
SCHEMBL650981 0.87 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4DPP4
SCHEMBL30267640 0.87 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4DPP4
SCHEMBL5398118 0.87 CA3 (0.37) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL698565 0.84 SHBG (0.38) DPP4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1315369 0.84 PTPN1 (0.33) CA2USP28
SCHEMBL30892375 0.84 ALDH1A1 (0.36) DPP4ALDH1A1ILKCA2
SCHEMBL376895 0.84 KDM1A (0.39) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL856379 0.84 KDM1A (0.39) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
EP-1978008-B1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7973201-B2 Process for production of halogen-substituted benzenedimethanol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-7956223-B2 Method for producing halogen-substituted benzenedimethanol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
EP-1783108-B1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL CO (JP) 2010-12-22 EP disclosed
US-20100222613-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2010-09-02 US disclosed
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-08 US disclosed
EP-2033944-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL Sumitomo Chemical Company, Limited (JP) 2009-03-11 EP disclosed
EP-1978008-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL Sumitomo Chemical Company, Limited (JP) 2008-10-08 EP disclosed
US-20070213570-A1 reacting a halogen-substituted terephthalic acid diester with a borohydride compound in the presence of an alcohol and a solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-13 US disclosed
EP-1783108-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL Sumitomo Chemical Company, Limited (JP) 2007-05-09 EP disclosed
US-6828467-B2 Industrial process of the hydrogenolysis of one hydroxyl or methanol group of a fluorinated benzenedimethanol carried out in a solvent in the presence of a catalyst; 2,3,5,6-tetra-fluorobenzyl alcohol from the 4-methyl derivative SHOWA DENKO K.K. (JP) 2004-12-07 US disclosed
EP-1322584-B1 PROCESS FOR PRODUCING FLUORINATED METHYL-BENZYL ALCOHOL SHOWA DENKO KK (JP) 2004-11-24 EP disclosed
US-20040010167-A1 Process for producing fluorinated methyl-benzyl alcohol SHOWA DENKO K.K. (JP) 2004-01-15 US disclosed
EP-1322584-A2 PROCESS FOR PRODUCING FLUORINATED METHYL-BENZYL ALCOHOL Showa Denko K.K. (JP) 2003-07-02 EP disclosed
WO-2002026678-A2 PROCESS FOR PRODUCING FLUORINATED METHYL-BENZYL ALCOHOL SHOWA DENKO K.K. (JP) 2002-04-04 WO disclosed
US-4140843-A AND ITS OLIGOMERS CIBA-GEIGY AG (CH) 1979-02-20 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 (6 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-20040010167-A1 Process for producing fluorinated methyl-benzyl alcohol ADH1C, ADH5, ADH1A GRIA1 4745/4885GRIA2 4709/4885GRIA3 4466/4885
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 GRIA1 124/4885GRIA2 188/4885GRIA3 127/4885
US-20070213570-A1 reacting a halogen-substituted terephthalic acid diester with a borohydride compound in the presence of an alcohol and a solvent ADH1A, ADH1C, CYP4A11 GRIA1 1450/4885GRIA2 1702/4885GRIA3 1464/4885
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HRH4, HAX1, XDH GRIA1 1874/4885GRIA2 1482/4885GRIA3 1167/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 GRIA1 629/4885GRIA2 1336/4885GRIA3 1621/4885
US-20100222613-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HAX1, XDH, DBH GRIA1 1393/4885GRIA2 1518/4885GRIA3 657/4885

“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.