SCHEMBL2835530

SCHEMBL2835530

[CH2]CCCCOC(=O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
FKBP1A P62942 4/20 0.40
EPHX1 P07099 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL9776380 0.98 ALDH1A1 (0.41) ALDH1A1FKBP1AEPHX1CES2CES1
SCHEMBL11041022 0.98 ALDH1A1 (0.39) ALDH1A1FKBP1AEPHX1CES2CES1
SCHEMBL11037986 0.96 ALDH1A1 (0.38) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL8584529 0.94 ALDH1A1 (0.42) ALDH1A1FKBP1AEPHX1CES2CES1
SCHEMBL2907680 0.94 ALDH1A1 (0.42) ALDH1A1FKBP1AEPHX1CES2CES1
SCHEMBL3733817 0.92 ADRB2 (0.41) ALDH1A1FKBP1ACES2CES1ADRB2
SCHEMBL13291850 0.90 ALDH1A1 (0.47) ALDH1A1FKBP1AEPHX1CES2CES1
SCHEMBL9035818 0.89 SMN1; SMN2 (0.38) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL28099782 0.88 ALDH1A1 (0.46) ALDH1A1FKBP1AEPHX1CES2CES1
SCHEMBL42565 0.86 ALDH1A1 (0.45) ALDH1A1FKBP1ACES2CES1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US claimed
WO-2016182898-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2016-11-17 WO 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-8778991-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2014-07-15 US claimed
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO claimed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
US-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-02-27 US claimed
WO-2014031844-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT, INC. (US) 2014-02-27 WO claimed
EP-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP claimed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US 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
US-11903918-B2 Fumarate ester dosage forms with enhanced gastrointestinal tolerability BANNER LIFE SCIENCES LLC (US) 2024-02-20 US disclosed
US-11590095-B2 Fumarate ester dosage forms BANNER LIFE SCIENCES LLC (US) 2023-02-28 US disclosed
US-20210220317-A1 FUMARATE ESTER DOSAGE FORMS WITH ENHANCED GASTROINTESTINAL TOLERABILITY BANNER LIFE SCIENCES LLC 2021-07-22 US disclosed
EP-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP disclosed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US disclosed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO disclosed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 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 (9 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 ALDH1A1 2050/4885FKBP1A 714/4885EPHX1 737/4885
US-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA ALDH1A1 626/4885FKBP1A 490/4885EPHX1 1551/4885
US-11590095-B2 Fumarate ester dosage forms FH, FAH, SDHB ALDH1A1 1024/4885FKBP1A 1285/4885EPHX1 1092/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR ALDH1A1 1063/4885FKBP1A 623/4885EPHX1 1335/4885
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA ALDH1A1 626/4885FKBP1A 490/4885EPHX1 1551/4885
US-20210220317-A1 FUMARATE ESTER DOSAGE FORMS WITH ENHANCED GASTROINTESTINAL TOLERABILITY FH, SI, FAH ALDH1A1 2820/4885FKBP1A 2029/4885EPHX1 2519/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 ALDH1A1 2050/4885FKBP1A 714/4885EPHX1 737/4885
US-11903918-B2 Fumarate ester dosage forms with enhanced gastrointestinal tolerability FH, SI, FAH ALDH1A1 2820/4885FKBP1A 2029/4885EPHX1 2519/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA ALDH1A1 626/4885FKBP1A 490/4885EPHX1 1551/4885

“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.