SCHEMBL5016748

SCHEMBL5016748

O=C(/C=C/C(=O)OCCN1CCOCC1)OCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
ATM Q13315 1/20 0.53
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 1/20 0.46
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRCP P42785 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL4411191 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDATMKMT2A
Hydrochloric Acid SCHEMBL16038223 0.98 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDATMKMT2A
SCHEMBL15154745 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDATMKMT2A
SCHEMBL15475592 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDATMKMT2A
SCHEMBL15154747 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDATMKMT2A
SCHEMBL15174292 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATMKMT2A
SCHEMBL15171917 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDATMKMT2A
Hydrochloric Acid SCHEMBL16038222 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATMKMT2A
SCHEMBL15171921 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATMKMT2A
SCHEMBL15171922 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016182898-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2016-11-17 WO claimed
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO claimed
EP-1735267-B1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR GIVAUDAN SA (CH) 2008-07-23 EP claimed
US-20070009475-A1 Aminoalkyl substituted esters and amides of fumaric acid for neutralizing malodor GIVAUDAN SA (CH) 2007-01-11 US claimed
EP-1735267-A1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR Givaudan SA (CH) 2006-12-27 EP claimed
WO-2005021051-A1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR GIVAUDAN SA (CH) 2005-03-10 WO claimed
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-01-25 US disclosed
EP-4230264-A2 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2023-08-23 EP disclosed
EP-3366668-B1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LTD (IE) 2023-06-21 EP disclosed
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2023-06-20 US disclosed
CN-115531366-A Method of treating multiple sclerosis 渤健马萨诸塞州股份有限公司 2022-12-30 CN disclosed
CN-115501218-A Methods of treating multiple sclerosis 渤健马萨诸塞州股份有限公司 2022-12-23 CN disclosed
CN-113368092-A Methods of treating multiple sclerosis 比奥根玛公司 2021-09-10 CN disclosed
US-20140051705-A1 Morpholinoalkyl Fumarate Compounds, Pharmaceutical Compositions, and Methods of Use XENOPORT, INC. (US) 2014-02-20 US disclosed
WO-2013119791-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2013-08-15 WO disclosed
US-20130203753-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2013-08-08 US disclosed
EP-1735267-B1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR GIVAUDAN SA (CH) 2008-07-23 EP disclosed
US-20070009475-A1 Aminoalkyl substituted esters and amides of fumaric acid for neutralizing malodor GIVAUDAN SA (CH) 2007-01-11 US disclosed
EP-1735267-A1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR Givaudan SA (CH) 2006-12-27 EP disclosed
WO-2005021051-A1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR GIVAUDAN SA (CH) 2005-03-10 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 (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-20140051705-A1 Morpholinoalkyl Fumarate Compounds, Pharmaceutical Compositions, and Methods of Use FH, APC, HTT ALDH1A1 2754/4885KDM4E 3249/4885HPGD 1190/4885
US-20130203753-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE FH, APC, HTT ALDH1A1 2754/4885KDM4E 3249/4885HPGD 1190/4885
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 ALDH1A1 363/4885KDM4E 1909/4885HPGD 91/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 ALDH1A1 363/4885KDM4E 1909/4885HPGD 91/4885

“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.