SCHEMBL522852

SCHEMBL522852

CCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCC)c(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 3/20 0.54
MAPT P10636 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
PDE4D Q08499 1/20 0.50
FHIT P49789 1/20 0.48
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL7203276 0.95 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL5331916 0.93 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL2191141 0.91 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL9094678 0.85 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL5336522 0.85 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL7074076 0.85 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL6206900 0.84 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL11008658 0.84 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL6928988 0.82 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL6208446 0.82 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2GAAMAPT

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 9 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
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-1783108-B1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL CO (JP) 2010-12-22 EP 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
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
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 (3 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 ALDH1A1 18/4885HPGD 619/4885SMN1; SMN2 4595/4885
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 ALDH1A1 168/4885HPGD 1195/4885SMN1; SMN2 4450/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ALDH1A1 33/4885HPGD 332/4885SMN1; SMN2 4872/4885

“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.