SCHEMBL522450

SCHEMBL522450

COC(=O)c1cc(Cl)c(C(=O)OC)c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ABL1 P00519 1/20 0.43
HTT P42858 1/20 0.42
NR4A2 P43354 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NQO2 P16083 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
HPGD P15428 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 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
SCHEMBL11697659 0.86 NR4A2 (0.41) GAAABL1HTTNR4A2KDM4E
SCHEMBL8331805 0.84 GAA (0.51) GAAABL1HTTNR4A2KDM4E
SCHEMBL1706798 0.84 GAA (0.53) GAAABL1HTTNR4A2KDM4E
SCHEMBL8159962 0.81 GAA (0.49) GAAABL1HTTNR4A2KDM4E
SCHEMBL31147102 0.80 GAA (0.51) GAAABL1HTTNR4A2KDM4E
SCHEMBL8337282 0.79 GAA (0.47) GAAABL1HTTNR4A2KDM4E
SCHEMBL1953848 0.79 GAA (0.58) GAAABL1HTTNR4A2KDM4E
SCHEMBL70011 0.79 GAA (0.58) GAAABL1HTTNR4A2KDM4E
SCHEMBL11654792 0.79 GAA (0.44) GAAABL1HTTNR4A2KDM4E
SCHEMBL11217561 0.79 SMN1; SMN2 (0.47) GAAABL1HTTKDM4EMEN1

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 10 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
US-7973201-B2 Process for production of halogen-substituted benzenedimethanol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
EP-1783108-B1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL CO (JP) 2010-12-22 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 GAA 4427/4885ABL1 749/4885HTT 3821/4885
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 GAA 3930/4885ABL1 1005/4885HTT 1713/4885
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HRH4, HAX1, XDH GAA 3245/4885ABL1 598/4885HTT 1224/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 GAA 3855/4885ABL1 2049/4885HTT 4376/4885

“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.