SCHEMBL1967441

SCHEMBL1967441

CC(C)OCCNCCOC(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
EPHX2 P34913 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9288942 0.89 HTR1B (0.34) ALDH1A1SMN1; SMN2EPHX2TSHRL3MBTL1
SCHEMBL24914369 0.89 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2EPHX2TSHRL3MBTL1
SCHEMBL13572982 0.87 CA12 (0.48) ALDH1A1SMN1; SMN2TSHRL3MBTL1LMNA
SCHEMBL25567929 0.87 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2EPHX2TSHRL3MBTL1
SCHEMBL14200596 0.87 TSHR (0.38) ALDH1A1SMN1; SMN2EPHX2TSHRL3MBTL1
SCHEMBL24865990 0.87 HTR1B (0.33) ALDH1A1SMN1; SMN2EPHX2TSHRL3MBTL1
SCHEMBL22702567 0.87 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2EPHX2TSHRL3MBTL1
SCHEMBL4748879 0.86
SCHEMBL13316777 0.86 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2EPHX2TSHRL3MBTL1
SCHEMBL22702566 0.85 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2EPHX2TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118299662-A Low-temperature rechargeable magnesium battery electrolyte and preparation method and application thereof 重庆大学 2024-07-05 CN claimed
CN-118299662-A Low-temperature rechargeable magnesium battery electrolyte and preparation method and application thereof 重庆大学 2024-07-05 CN disclosed
EP-3805237-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) 2021-04-14 EP disclosed
US-9452972-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2016-09-27 US disclosed
US-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2015-07-16 US disclosed
US-20140329818-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT INC (US) 2014-11-06 US disclosed
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 US disclosed
US-8778991-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2014-07-15 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-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US disclosed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP 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
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
EP-0818512-B1 Quinoline derivative and use of same MITSUI CHEMICALS INC (JP) 2002-10-02 EP disclosed
US-6407242-B1 REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE MITSUI CHEMICALS, INC. (JP) 2002-06-18 US disclosed
US-6132640-A ZINC COMPLEXES OF QUINOLINE MITSUI CHEMICALS, INC. (JP) 2000-10-17 US disclosed
EP-0818512-A1 Quinoline derivative and use of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-14 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 (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-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 ALDH1A1 1970/4885SMN1; SMN2 2337/4885EPHX2 501/4885
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 2824/4885SMN1; SMN2 2224/4885EPHX2 2990/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 ALDH1A1 2050/4885SMN1; SMN2 2353/4885EPHX2 608/4885
US-20140329818-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 ALDH1A1 1970/4885SMN1; SMN2 2337/4885EPHX2 501/4885

“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.