SCHEMBL523766

SCHEMBL523766

OCc1cc(F)c(CO)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
TAAR1 Q96RJ0 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
KIF11 P52732 1/20 0.35
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP6 P55212 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL31255133 0.84 ACHE (0.36) ACHETAAR1CYP4F2CYP4A11KIF11
SCHEMBL6735826 0.84 ACHE (0.36) ACHETAAR1CYP4F2CYP4A11KIF11
SCHEMBL31614959 0.84 ACHE (0.36) ACHETAAR1CYP4F2CYP4A11KIF11
SCHEMBL12763658 0.82 TRPA1 (0.33) TAAR1CYP4F2CYP4A11
SCHEMBL28720334 0.82 TAAR1 (0.32) TAAR1
SCHEMBL96131 0.80 CES2 (0.37) TAAR1CYP4F2CYP4A11
SCHEMBL391375 0.80 ACHE (0.46) ACHECYP4F2CYP4A11KIF11TSHR
SCHEMBL22437204 0.79 ACVRL1 (0.40) TAAR1
SCHEMBL2642238 0.78 ACHE (0.50) ACHECYP4F2CYP4A11KIF11TSHR
SCHEMBL4048403 0.78 TAAR1 (0.58) ACHETAAR1

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
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
EP-1978008-B1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7973201-B2 Process for production of halogen-substituted benzenedimethanol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-7956223-B2 Method for producing halogen-substituted benzenedimethanol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
EP-1783108-B1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL CO (JP) 2010-12-22 EP disclosed
US-20100222613-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2010-09-02 US 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
EP-2033944-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL Sumitomo Chemical Company, Limited (JP) 2009-03-11 EP disclosed
EP-1978008-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL Sumitomo Chemical Company, Limited (JP) 2008-10-08 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
US-6828467-B2 Industrial process of the hydrogenolysis of one hydroxyl or methanol group of a fluorinated benzenedimethanol carried out in a solvent in the presence of a catalyst; 2,3,5,6-tetra-fluorobenzyl alcohol from the 4-methyl derivative SHOWA DENKO K.K. (JP) 2004-12-07 US disclosed
EP-1322584-B1 PROCESS FOR PRODUCING FLUORINATED METHYL-BENZYL ALCOHOL SHOWA DENKO KK (JP) 2004-11-24 EP disclosed
US-20040010167-A1 Process for producing fluorinated methyl-benzyl alcohol SHOWA DENKO K.K. (JP) 2004-01-15 US 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 (6 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-20040010167-A1 Process for producing fluorinated methyl-benzyl alcohol ADH1C, ADH5, ADH1A ACHE 2586/4885TAAR1 966/4885CYP4F2 153/4885
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 ACHE 2317/4885TAAR1 269/4885CYP4F2 632/4885
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 ACHE 2249/4885TAAR1 43/4885CYP4F2 49/4885
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HRH4, HAX1, XDH ACHE 3159/4885TAAR1 308/4885CYP4F2 29/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ACHE 1414/4885TAAR1 1167/4885CYP4F2 91/4885
US-20100222613-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HAX1, XDH, DBH ACHE 1771/4885TAAR1 348/4885CYP4F2 105/4885

“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.