SCHEMBL522392

SCHEMBL522392

CCCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCCC)c(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.48
ESR1 P03372 3/20 0.47
TSHR P16473 2/20 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 4/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 2/20 0.40
GRM6 O15303 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5336896 0.93 ALDH1A1 (0.48) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL521819 0.87 ESR1 (0.58) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL5333811 0.86 LMNA (0.46) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL11004733 0.85 ALDH1A1 (0.58) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL522435 0.85 TSHR (0.55) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL522324 0.84 MAPT (0.56) ALDH1A1LMNAESR1TSHRMAPT
SCHEMBL10898113 0.84 MAPT (0.56) ALDH1A1LMNAESR1TSHRMAPT
SCHEMBL522852 0.81 ALDH1A1 (0.54) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL5340890 0.81 ESR1 (0.56) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL5333456 0.79 TSHR (0.53) ALDH1A1LMNAESR1TSHRTDP1

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 ALDH1A1 18/4885LMNA 3279/4885ESR1 2946/4885
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 168/4885LMNA 3072/4885ESR1 373/4885
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HRH4, HAX1, XDH ALDH1A1 1867/4885LMNA 3439/4885ESR1 400/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ALDH1A1 33/4885LMNA 4306/4885ESR1 1456/4885

“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.