SCHEMBL522227

SCHEMBL522227

CCOC(=O)c1c(F)c(F)c(C(=O)OCC)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 4/20 0.54
GAA P10253 3/20 0.54
MAPT P10636 3/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
NPSR1 Q6W5P4 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PDE4D Q08499 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
SCHEMBL196046 0.98 ESR1 (0.53) ESR1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL522219 0.95 ESR1 (0.52) ESR1ALDH1A1SMN1; SMN2HPGDGAA
Alcohol SCHEMBL28160506 0.93 SMN1; SMN2 (0.50) ESR1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6578769 0.93 SMN1; SMN2 (0.53) ESR1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL2458847 0.91 ESR1 (0.49) ESR1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL2454093 0.91 ESR1 (0.68) ESR1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL522265 0.91 ALDH1A1 (0.49) ESR1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL2457587 0.89 ESR1 (0.47) ESR1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL7155146 0.89 ALDH1A1 (0.55) ESR1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL27622787 0.89 ESR1 (0.47) ESR1ALDH1A1SMN1; SMN2HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119500248-A Supported metal oxide catalyst and preparation method and application thereof 万华化学集团股份有限公司 2025-02-25 CN claimed
CN-119500248-A Supported metal oxide catalyst and preparation method and application thereof 万华化学集团股份有限公司 2025-02-25 CN disclosed
CN-110117217-B Preparation method of 1-bromomethyl-2, 3,5, 6-tetrafluoro-4- (trifluoromethyl) benzene 浙江普洛家园药业有限公司 2021-09-28 CN disclosed
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
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
CN-101610988-B Method for producing 4-methyl-2,3,5,6-tetrafluorobenzyl alcohol SUMITOMO CO LTD 2013-04-17 CN 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
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
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
CN-101321719-A Process for producing tetrafluoroterephthalic acid difluoride SUMITOMO CHEMICAL CO (JP) 2008-12-10 CN disclosed
CN-101321720-A Method for producing tetrafluoroterephthalic acid difluoride SUMITOMO CHEMICAL CO (JP) 2008-12-10 CN 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
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
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 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 (1 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 ESR1 373/4885ALDH1A1 168/4885SMN1; SMN2 4450/4885

“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.