SCHEMBL522435

SCHEMBL522435

CCCCCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCCCCC)c(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ATM Q13315 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 3/20 0.53
ESR1 P03372 5/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
NAAA Q02083 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL522324 0.98 MAPT (0.56) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL10898113 0.98 MAPT (0.56) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL5333456 0.94 TSHR (0.53) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL521819 0.94 ESR1 (0.58) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL10896211 0.92 MAPT (0.55) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL5334417 0.92 MAPT (0.55) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL7929648 0.92 MAPT (0.55) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL7924030 0.92 MAPT (0.55) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL7918400 0.92 MAPT (0.55) TSHRTP53CYP3A4MAPK1MAPT
SCHEMBL5334748 0.92 MAPT (0.55) TSHRTP53CYP3A4MAPK1MAPT

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 6 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
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-08 US disclosed
EP-2033944-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL Sumitomo Chemical Company, Limited (JP) 2009-03-11 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 (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 TSHR 2221/4885TP53 3427/4885CYP3A4 53/4885
US-20100174122-A1 PROCESS FOR PRODUCTION OF HALOGEN-SUBSTITUTED BENZENEDIMETHANOL HRH4, HAX1, XDH TSHR 88/4885TP53 2526/4885CYP3A4 18/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 TSHR 2411/4885TP53 3211/4885CYP3A4 39/4885

“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.