SCHEMBL521819

SCHEMBL521819

CCCCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCCCC)c(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.58
TSHR P16473 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2D6 P10635 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
PDE4D Q08499 1/20 0.49
ATM Q13315 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL522435 0.94 TSHR (0.55) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL5340890 0.94 ESR1 (0.56) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL10898113 0.92 MAPT (0.56) ESR1TSHRL3MBTL1LMNAALDH1A1
SCHEMBL522324 0.92 MAPT (0.56) ESR1TSHRL3MBTL1LMNAALDH1A1
SCHEMBL5333456 0.88 TSHR (0.53) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL5336507 0.87 ESR1 (0.50) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL522392 0.87 ALDH1A1 (0.50) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL11004877 0.87 ESR1 (0.66) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL5334417 0.86 MAPT (0.55) ESR1TSHRL3MBTL1LMNAALDH1A1
SCHEMBL5334748 0.86 MAPT (0.55) ESR1TSHRL3MBTL1LMNAALDH1A1

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 ESR1 2946/4885TSHR 2221/4885L3MBTL1 4455/4885
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 ESR1 373/4885TSHR 79/4885L3MBTL1 1299/4885
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HRH4, HAX1, XDH ESR1 400/4885TSHR 88/4885L3MBTL1 2384/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ESR1 1456/4885TSHR 2411/4885L3MBTL1 3300/4885

“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.