SCHEMBL522512

SCHEMBL522512

COC(=O)c1c(F)c(F)c(C(=O)OC)c(Cl)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MAPK1 P28482 1/20 0.50
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 3/20 0.36
NR4A2 P43354 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.35
GLA P06280 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1900239 0.91 TSHR (0.42) TSHRMAPK1CES2CES1MAPT
SCHEMBL1901154 0.91 TSHR (0.48) TSHRMAPK1CES2CES1MAPT
SCHEMBL20529615 0.89 TSHR (0.47) TSHRMAPK1CES2CES1MAPT
SCHEMBL522175 0.86 TSHR (0.61) TSHRMAPK1MAPTCA12CA1
SCHEMBL19478297 0.86 TSHR (0.42) TSHRMAPK1CES2CES1MAPT
SCHEMBL1719721 0.84 TSHR (0.59) TSHRMAPK1CES2CES1MAPT
SCHEMBL7198377 0.81 TSHR (0.57) TSHRMAPK1CES2CES1MAPT
SCHEMBL521682 0.81 TSHR (0.46) TSHRMAPK1CES2CES1MAPT
SCHEMBL522412 0.79 TSHR (0.53) TSHRMAPK1CES2CES1MAPT
SCHEMBL2878001 0.77 TSHR (0.53) TSHRMAPK1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365255-B Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
EP-2471766-B1 Process for producing 4-methyl-2,3,5,6-tetrafluorobenzyl alcohol SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
EP-2123624-B1 METHOD FOR PRODUCING 4-METHYL-2,3,5,6-TETRAFLUOROBENZYL ALCOHOL SUMITOMO CHEMICAL CO (JP) 2013-04-17 EP disclosed
US-8399710-B2 Alkali metal fluoride dispersion and process for producing fluorine-containing organic compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20130060032-A1 POTASSIUM FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME HAGIYA KOJI (JP) 2013-03-07 US disclosed
US-8350091-B2 Potassium fluoride dispersion and process for producing fluorine-containing organic compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
EP-1961729-B1 METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE SUMITOMO CHEMICAL CO (JP) 2012-09-26 EP disclosed
EP-2471766-A1 Process for producing 4-methyl-2,3,5,6-tetrafluorobenzyl alcohol Sumitomo Chemical Company, Limited (JP) 2012-07-04 EP disclosed
EP-2471741-A1 Potassium Fluoride Sumitomo Chemical Company, Limited (JP) 2012-07-04 EP disclosed
US-20120097891-A1 POTASSIUM FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US disclosed
EP-2192087-A1 ALKALI METAL FLUORIDE DISPERSION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
US-7678947-B2 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) 2010-03-16 US disclosed
EP-2123624-A1 METHOD FOR PRODUCING 4-METHYL-2,3,5,6-TETRAFLUOROBENZYL ALCOHOL Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed
US-20090227810-A1 METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-10 US disclosed
US-20090099387-A1 POTASSIUM FLUORIDE DISPERSION SOLUTION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-16 US disclosed
EP-2033944-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL Sumitomo Chemical Company, Limited (JP) 2009-03-11 EP disclosed
EP-2011764-A1 POTASSIUM FLUORIDE DISPERSION SOLUTION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-01-07 EP disclosed
EP-1961729-A1 METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE Sumitomo Chemical Company, Limited (JP) 2008-08-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 TSHR 79/4885MAPK1 1460/4885CES2 101/4885
US-20090227810-A1 METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE DDT, DGKA, FGFR1 TSHR 136/4885MAPK1 2581/4885CES2 2711/4885

“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.