SCHEMBL5169953

SCHEMBL5169953

O=C(O)C(F)(F)Oc1ccc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
EPHX2 P34913 2/20 0.37
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
FFAR1 O14842 3/20 0.33
FFAR4 Q5NUL3 3/20 0.33
GAA P10253 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
BCHE P06276 1/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31

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
SCHEMBL7313573 0.89 CES2 (0.41) NOTUMCES2CES1EPHX2SCN8A
SCHEMBL3873475 0.85 CES2 (0.38) NOTUMCES2CES1EPHX2SCN8A
SCHEMBL17186806 0.81 PPARA (0.47) CES2CES1ALDH1A1LMNAPPARA
SCHEMBL23519094 0.77 PPARA (0.51) NOTUMEPHX2SCN8ASCN10APPARA
SCHEMBL29795192 0.76 EPHX2 (0.46) NOTUMCES2CES1EPHX2SCN8A
SCHEMBL17186832 0.76 EPHX2 (0.46) NOTUMCES2CES1EPHX2SCN8A
SCHEMBL23519089 0.74 CXCL8 (0.46) NOTUMCES2CES1EPHX2ALDH1A1
SCHEMBL3827377 0.74 CES2 (0.45) CES2CES1EPHX2SCN8ASCN10A
SCHEMBL15737124 0.73 CES2 (0.32) CES2CES1EPHX2FFAR1
SCHEMBL10180776 0.73 CES2 (0.41) CES2CES1EPHX2SCN8ASCN10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685146-B1 CRYSTALLINE COMPOUND OF 4'-DEMETHYL-4'-PHOSPHATE-2\",3\"-BISPENTAFLUOROPHENOXYACETYL-4\",6\"-ETHYLIDENE-ß-D-EPIPODOPHYLLOTOXIN GLUCOSIDE EITHER IN ITS FREE FORM OR SOLVATED WITH ETHANOL PF MEDICAMENT (FR) 2007-04-25 EP disclosed
US-20070042971-A1 Crystalline compound of 4'-demethyl-4'-phosphate-2\", 3\"-bispentafluorophenoxy-acetyl-4\", 6\"-ethylidene-beta-d-epipodophyllotoxin glucoside either in its free form or solvated with ethanol PIERRE FABRE MEDICAMENT (FR) 2007-02-22 US disclosed
EP-1685146-A1 CRYSTALLINE COMPOUND OF 4'-DEMETHYL-4'-PHOSPHATE-2\",3\"-BISPENTAFLUOROPHENOXYACETYL-4\",6\"-ETHYLIDENE-ß-D-EPIPODOPHYLLOTOXIN GLUCOSIDE EITHER IN ITS FREE FORM OR SOLVATED WITH ETHANOL PIERRE FABRE MEDICAMENT (FR) 2006-08-02 EP disclosed
WO-2005028492-A1 CRYSTALLINE COMPOUND OF 4'-DEMETHYL-4'-PHOSPHATE-2',3'-BISPENTAFLUOROPHENOXYACETYL-4',6'-ETHYLIDENE-β-D-EPIPODOPHYLLOTOXIN GLUCOSIDE EITHER IN ITS FREE FORM OR SOLVATED WITH ETHANOL PIERRE FABRE MEDICAMENT (FR) 2005-03-31 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 (1 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-20070042971-A1 Crystalline compound of 4'-demethyl-4'-phosphate-2\", 3\"-bispentafluorophenoxy-acetyl-4\", 6\"-ethylidene-beta-d-epipodophyllotoxin glucoside either in its free form or solvated with ethanol PPP4C, PYGB, PYGL NOTUM 1197/4885CES2 1181/4885CES1 2213/4885

“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.