SCHEMBL6446896

SCHEMBL6446896

COC(=O)C=CC(=O)OC(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.67
NFE2L2 Q16236 2/20 0.65
KEAP1 Q14145 1/20 0.65
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
GFPT1 Q06210 1/20 0.40
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL13133179 1.00 HCAR2 (0.67) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL13133177 1.00 HCAR2 (0.67) HCAR2NFE2L2KEAP1CA12CA1
Methoxymethane SCHEMBL22042961 0.90 HCAR2 (0.73) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL177748 0.89 HCAR2 (0.80) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL178194 0.89 HCAR2 (0.80) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL177747 0.89 HCAR2 (0.80) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL18421667 0.85 HCAR2 (0.65) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL2609734 0.85 HCAR2 (0.65) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL18213889 0.85 HCAR2 (0.52) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL2609729 0.83 HCAR2 (0.50) HCAR2NFE2L2KEAP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US disclosed
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects ARBOR PHARMACEUTICALS, LLC (US) 2021-03-16 US disclosed
EP-1533322-B1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2019-05-01 EP disclosed
US-9562119-B2 Ethylene polymerization catalysts W. R. GRACE & CO.-CONN. (US) 2017-02-07 US disclosed
EP-3027767-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XenoPort, Inc. (US) 2016-06-08 EP disclosed
US-20150307914-A9 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
WO-2015017762-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT, INC. (US) 2015-02-05 WO disclosed
US-20150038499-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT INC (US) 2015-02-05 US disclosed
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-11-27 US disclosed
US-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-02-27 US disclosed
EP-2576633-A2 ETHYLENE POLYMERIZATION CATALYSTS BASF Corporation (US) 2013-04-10 EP disclosed
WO-2011149656-A2 ETHYLENE POLYMERIZATION CATALYSTS BASF CORPORATION (US) 2011-12-01 WO disclosed
US-20110294970-A1 ETHYLENE POLYMERIZATION CATALYSTS BASF CATALYSTS, LLC (US) 2011-12-01 US disclosed
US-20050227856-A1 Solid catalyst component for olefin polymerization and catalyst TOHO CATALYST CO., LTD. (JP) 2005-10-13 US disclosed
EP-1533322-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Catalyst Co., Ltd. (JP) 2005-05-25 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 (8 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-20150038499-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 HCAR2 3998/4885NFE2L2 1099/4885KEAP1 1101/4885
US-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA HCAR2 1463/4885NFE2L2 2050/4885KEAP1 2871/4885
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects FH, FAH, ALDOA HCAR2 1463/4885NFE2L2 2050/4885KEAP1 2871/4885
US-20110294970-A1 ETHYLENE POLYMERIZATION CATALYSTS ESR1, MSMO1, MCM5 HCAR2 3524/4885NFE2L2 535/4885KEAP1 1010/4885
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA HCAR2 1463/4885NFE2L2 2050/4885KEAP1 2871/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 HCAR2 3998/4885NFE2L2 1099/4885KEAP1 1101/4885
US-20150307914-A9 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 HCAR2 3998/4885NFE2L2 1099/4885KEAP1 1101/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA HCAR2 1463/4885NFE2L2 2050/4885KEAP1 2871/4885

“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.