SCHEMBL523335

SCHEMBL523335

CCCCOC(=O)c1c(F)c(F)c(C(=O)OCCCC)c(F)c1F

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.86
TSHR P16473 6/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2D6 P10635 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
PDE4D Q08499 1/20 0.49
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL17367633 0.98 ESR1 (0.83) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL8345769 0.94 ESR1 (0.77) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL10339657 0.90 ESR1 (0.72) ESR1TSHRLMNAALDH1A1MAPK1
SCHEMBL31290294 0.90 ESR1 (0.72) ESR1TSHRLMNAALDH1A1MAPK1
SCHEMBL522151 0.89 ESR1 (0.71) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL522911 0.87 ESR1 (0.67) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL11004877 0.87 ESR1 (0.66) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL28961265 0.86 ESR1 (0.67) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL19795495 0.85 ESR1 (0.65) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL17367967 0.85 ESR1 (0.63) ESR1TSHRTDP1L3MBTL1MAPK1

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 42 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
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
CN-101479221-B Method for production of halogen-substituted benzenedimethanol SUMITOMO CO LTD 2013-01-16 CN 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
CN-101356146-B Process for preparing halogen substituted benzenedimethanol SUMITOMO CO LTD 2013-01-02 CN 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
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-101321720-A Method for producing tetrafluoroterephthalic acid difluoride SUMITOMO CHEMICAL CO (JP) 2008-12-10 CN disclosed
CN-101321719-A Process 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

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 373/4885TSHR 79/4885TDP1 741/4885

“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.