SCHEMBL522786

SCHEMBL522786

COC(=O)c1cc(F)c(C(=O)OC)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
KDM4E B2RXH2 6/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL410165 0.95 ALPL (0.45) CA12CA1CA2CA7CA9
SCHEMBL20511627 0.90 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL23906095 0.89 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL365903 0.89 MAPT (0.41) CA12CA1CA2CA7CA9
SCHEMBL1418414 0.89 PDGFRB (0.42) CA12CA1CA2CA7CA9
SCHEMBL17700427 0.88 KDM4E (0.50) KDM4EGAALMNAPOLBALDH1A1
SCHEMBL1044961 0.88 SOS1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL12683792 0.88 HPGD (0.51) GAALMNAPOLBTSHRALDH1A1
SCHEMBL20095617 0.88 ALDH1A1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL17129067 0.88 CA12 (0.39) CA12CA1CA2CA7CA9

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
CN-102365255-B Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
CN-102365254-B Method for producing alcohol compound SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed
CN-101479221-B Method for production of halogen-substituted benzenedimethanol SUMITOMO CO LTD 2013-01-16 CN disclosed
CN-101356146-B Process for preparing halogen substituted benzenedimethanol SUMITOMO CO LTD 2013-01-02 CN disclosed
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
US-7973201-B2 Process for production of halogen-substituted benzenedimethanol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
EP-1783108-B1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL CO (JP) 2010-12-22 EP disclosed
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-08 US 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
CN-101479221-A Method for production of halogen-substituted benzenedimethanol SUMITOMO CHEMICAL CO (JP) 2009-07-08 CN disclosed
EP-2033944-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL Sumitomo Chemical Company, Limited (JP) 2009-03-11 EP disclosed
CN-101356146-A Process for preparing halogen substituted benzenedimethanol SUMITOMO CHEMICAL CO (JP) 2009-01-28 CN 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
CN-101001823-A Process for making halogen substituted benzenedimethanol SUMITOMO CHEMICAL CO (JP) 2007-07-18 CN 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 (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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 CA12 528/4885CA1 335/4885CA2 995/4885
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 CA12 563/4885CA1 599/4885CA2 2918/4885
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HRH4, HAX1, XDH CA12 615/4885CA1 613/4885CA2 740/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 CA12 2076/4885CA1 1406/4885CA2 2955/4885

“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.