SCHEMBL555675

SCHEMBL555675

CCCOC(=O)/C=C/C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.69
ATM Q13315 1/20 0.61
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
MAPT P10636 3/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX5 P09917 1/20 0.47
APP P05067 1/20 0.45
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GFPT1 Q06210 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5283359 1.00 HCAR2 (0.69) HCAR2ATMKEAP1NFE2L2MAPT
SCHEMBL5284814 1.00 HCAR2 (0.69) HCAR2ATMKEAP1NFE2L2MAPT
SCHEMBL22619937 0.92 ATM (0.77) HCAR2ATMKEAP1NFE2L2MAPT
SCHEMBL2946078 0.91 HCAR2 (0.59) HCAR2ATMKEAP1NFE2L2MAPT
SCHEMBL2946075 0.91 HCAR2 (0.59) HCAR2ATMKEAP1NFE2L2MAPT
SCHEMBL448454 0.91 HCAR2 (0.82) HCAR2ATMKEAP1NFE2L2MAPT
SCHEMBL448456 0.91 HCAR2 (0.82) HCAR2ATMKEAP1NFE2L2MAPT
SCHEMBL322228 0.91 HCAR2 (0.82) HCAR2ATMKEAP1NFE2L2MAPT
SCHEMBL4934756 0.88 HCAR2 (0.78) HCAR2ATMKEAP1NFE2L2MAPT
Hydrochloric Acid SCHEMBL28061109 0.88 HCAR2 (0.78) HCAR2ATMKEAP1NFE2L2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023123747-A1 HYDROGEN ABSTRACTION PHOTOINITIATOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州鹿山光电材料有限公司 2023-07-06 WO claimed
US-20220105064-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER BIOGEN SWISS MFG GMBH (CH) 2022-04-07 US claimed
US-20220079884-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX BIOGEN SWISS MFG GMBH (CH) 2022-03-17 US claimed
US-11229619-B2 Controlled release pharmaceutical compositions comprising a fumaric acid ester BIOGEN SWISS MANUFACTURING GMBH (CH) 2022-01-25 US claimed
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US claimed
US-20180221284-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX BIOGEN SWISS MANUFACTURING GMBH (CH) 2018-08-09 US claimed
WO-2016182898-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2016-11-17 WO claimed
US-20150272894-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX BIOGEN SWISS MANUFACTURING GMBH (CH) 2015-10-01 US claimed
EP-2887934-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XenoPort, Inc. (US) 2015-07-01 EP claimed
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-11-27 US claimed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US claimed
US-20120034303-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX FORWARD PHARMA A/S (DK) 2012-02-09 US claimed
US-20120034274-A1 PHARMACEUTICAL COMPOSITION COMPRISING ONE OR MORE FUMARIC ACID ESTERS FORWARD PHARMA A/S (DK) 2012-02-09 US claimed
EP-2379062-A1 PHARMACEUTICAL COMPOSITION COMPRISING ONE OR MORE FUMARIC ACID ESTERS Forward Pharma A/S (DK) 2011-10-26 EP claimed
EP-2379063-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX Forward Pharma A/S (DK) 2011-10-26 EP claimed
WO-2010079222-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX FORWARD PHARMA A/S (DK) 2010-07-15 WO claimed
WO-2010079221-A1 PHARMACEUTICAL COMPOSITION COMPRISING ONE OR MORE FUMARIC ACID ESTERS FORWARD PHARMA A/S (DK) 2010-07-15 WO claimed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO claimed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US claimed
EP-1208135-B1 IN-SITU PREPARATION OF POLYASPARTIC ESTER MIXTURE BAYER AG (US) 2003-10-01 EP claimed

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-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 HCAR2 70/4885ATM 2335/4885KEAP1 2571/4885
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA HCAR2 1463/4885ATM 2607/4885KEAP1 2871/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 HCAR2 70/4885ATM 2335/4885KEAP1 2571/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA HCAR2 1463/4885ATM 2607/4885KEAP1 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.