SCHEMBL689523

SCHEMBL689523

CCOP(=O)(OCC)C(OC)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 4/20 0.38
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL420551 0.88 ALDH1A1 (0.38) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL5892273 0.86 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL5892255 0.83 GAA (0.39) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL13203905 0.83 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL2990006 0.82 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL3633847 0.82 POLB (0.42) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL26089024 0.80 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL19379182 0.80 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL4087214 0.79 SMN1; SMN2 (0.37) CYP2C19CA12CA1CA2CA9
SCHEMBL14822032 0.78 HTT (0.37) CA1CA2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
US-9827257-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-11-28 US disclosed
US-9750759-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-09-05 US disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed
EP-2597091-B1 Antitumoral Compounds PHARMA MAR SA (ES) 2016-04-20 EP disclosed
US-20150344454-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-20150342972-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-9187445-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2015-11-17 US disclosed
US-7365207-B2 Process for the production of chiral propionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-29 US disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 WO disclosed
EP-1670792-B1 PROCESS FOR THE PREPARATION OF CHIRAL PROPIONIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
US-20070249842-A1 Process for the production of chiral propionic acid derivatives PUENTENER KURT 2007-10-25 US disclosed
US-20070249842-A1 Process for the production of chiral propionic acid derivatives PUENTENER KURT 2007-10-25 US disclosed
US-7262303-B2 Process for the production of chiral propionic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-7262303-B2 Process for the production of chiral propionic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2007-08-28 US disclosed
EP-1670792-A1 PROCESS FOR THE PREPARATION OF CHIRAL PROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
WO-2005030764-A1 PROCESS FOR THE PREPARATION OF CHIRAL PROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-04-07 WO disclosed
US-20050070714-A1 Process for the production of chiral propionic acid derivatives HOFFMANN-LA ROCHE INC. 2005-03-31 US 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-20150344454-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 CYP3A4 1645/4885CYP2C9 2327/4885CYP2C19 2097/4885
US-20150342972-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 CYP3A4 1645/4885CYP2C9 2327/4885CYP2C19 2097/4885
US-20050070714-A1 Process for the production of chiral propionic acid derivatives HRH4, HRH3, HRH1 CYP3A4 22/4885CYP2C9 86/4885CYP2C19 144/4885
US-20070249842-A1 Process for the production of chiral propionic acid derivatives HRH4, HRH3, HRH1 CYP3A4 22/4885CYP2C9 86/4885CYP2C19 144/4885

“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.