SCHEMBL522911

SCHEMBL522911

CCCOC(=O)c1c(F)c(F)c(C(=O)OCCC)c(F)c1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.67
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
MAPT P10636 2/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM6 O15303 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL19795495 0.98 ESR1 (0.65) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL8348591 0.93 ESR1 (0.59) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL19795492 0.92 ESR1 (0.59) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL522646 0.89 ESR1 (0.56) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL9785522 0.87 ESR1 (0.54) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL523335 0.87 ESR1 (0.86) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL12972452 0.86 ESR1 (0.53) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL19795497 0.86 ESR1 (0.53) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL11004733 0.85 ALDH1A1 (0.58) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL17367633 0.85 ESR1 (0.83) ESR1ALDH1A1LMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103467721-A Fluorine-containing poly(trimethylene terephthalate) (PTT) polyester and preparation method thereof JIANGSU LIXIN CHEMICAL FIBER TECHNOLOGY CO LTD 2013-12-25 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-101321720-B Method for producing tetrafluoroterephthalic acid difluoride SUMITOMO CHEMICAL CO 2012-12-26 CN disclosed
CN-101426727-B Potassium fluoride dispersion solution, and process for production of fluorinated organic compound using the same SUMITOMO CO LTD 2012-09-26 CN disclosed
CN-101479221-A Method for production of halogen-substituted benzenedimethanol SUMITOMO CHEMICAL CO (JP) 2009-07-08 CN disclosed
CN-101426727-A Potassium fluoride dispersion solution, and process for production of fluorinated organic compound using the same SUMITOMO CHEMICAL CO (JP) 2009-05-06 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
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
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 373/4885ALDH1A1 168/4885LMNA 3072/4885

“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.