SCHEMBL522658

SCHEMBL522658

OCc1ccc(CO)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2A6 P11509 1/20 0.32
TYR P14679 1/20 0.32
TSHR P16473 1/20 0.32
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
KLF10 Q13118 1/20 0.30

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
SCHEMBL16880602 0.89 APOBEC3G (0.31) APOBEC3G
SCHEMBL698604 0.89 CES2 (0.41) APOBEC3G
SCHEMBL1461903 0.87 KDM4E (0.39) KDM4ENPC1LMNAGAAHTT
SCHEMBL3082467 0.84 HTT (0.39) HTTSMN1; SMN2PDCD1CD274
SCHEMBL855176 0.84 KDM1A (0.35)
SCHEMBL27771994 0.83 APOBEC3G (0.31) APOBEC3G
SCHEMBL16961227 0.81 APOBEC3G (0.44) APOBEC3GKDM4ELMNAGAAL3MBTL1
SCHEMBL3999814 0.81 KIF11 (0.42)
SCHEMBL20607571 0.79 CYP11B1 (0.37) L3MBTL1
SCHEMBL542766 0.79 KDM4E (0.41) KDM4EHTTTSHR

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 APOBEC3G 305/4885KDM4E 218/4885NPC1 2185/4885
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 APOBEC3G 1978/4885KDM4E 2660/4885NPC1 2661/4885
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 APOBEC3G 2145/4885KDM4E 3330/4885NPC1 2782/4885
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HRH4, HAX1, XDH APOBEC3G 2278/4885KDM4E 2715/4885NPC1 3793/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 APOBEC3G 1935/4885KDM4E 1708/4885NPC1 3195/4885
US-20100222613-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HAX1, XDH, DBH APOBEC3G 2443/4885KDM4E 3907/4885NPC1 2456/4885

“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.