SCHEMBL2334069

SCHEMBL2334069

CC=C(NC(C)=O)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HCAR2 Q8TDS4 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CRBN Q96SW2 1/20 0.36
TAS2R38 P59533 1/20 0.33
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
DNMT1 P26358 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 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
SCHEMBL4660722 1.00 ALDH1A1 (0.40) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL2334064 1.00 ALDH1A1 (0.40) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL903354 0.83 ALDH1A1 (0.39) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL25054254 0.83 ALDH1A1 (0.39) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL901155 0.81 ALDH1A1 (0.37) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL901154 0.81 ALDH1A1 (0.37) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL8232405 0.81 LMNA (0.42) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL20930482 0.79 HCAR2 (0.44) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL712575 0.79 ALDH1A1 (0.36) ALDH1A1HCAR2KEAP1NFE2L2CRBN
SCHEMBL710767 0.78 ALDH1A1 (0.39) ALDH1A1HCAR2KEAP1NFE2L2CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102893427-B Separator and electrochemical device comprising same LG CHEM, LTD. (KR) 2016-01-06 CN claimed
EP-2534161-A1 ENANTIOMERICALLY ENRICHED AMINODIPHOSPHINES AS LIGANDS FOR THE PREPARATION OF CATALYSTS FOR ASYMMETRIC SYNTHESIS Enantia, S.L. (ES) 2012-12-19 EP disclosed
US-20120309997-A1 Enantiomerically Enriched Aminodiphosphines as Ligands for the Preparation of Catalysts for Asymmetric Synthesis ENANTIA, S.L. (ES) 2012-12-06 US disclosed
WO-2011098160-A1 ENANTIOMERICALLY ENRICHED AMINODIPHOSPHINES AS LIGANDS FOR THE PREPARATION OF CATALYSTS FOR ASYMMETRIC SYNTHESIS ENANTIA, S.L. (ES) 2011-08-18 WO disclosed
CN-100482671-C Chiral monophosphorous ligand, synthetic method and its use SHANGHAI INST ORGANIC CHEM (CN) 2009-04-29 CN disclosed
EP-1279660-B1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of an optically active transition metal complex containing a phosphine-phosphorane compound and rhodium TAKASAGO PERFUMERY CO LTD (JP) 2008-12-17 EP disclosed
CN-1309728-C Chiral organic, inorganic polymer assembled catalyst, synthesis method and use SHANGHAI INST ORGANIC CHEM (CN) 2007-04-11 CN disclosed
CN-1304403-C Monophosphine ligand having C2 symmetric skeleton, synthesis method and application SHANGHAI INST ORGANIC CHEM (CN) 2007-03-14 CN disclosed
CN-1651443-A Monophosphine ligand having C2 symmetric skeleton, synthesis method and application SHANGHAI INST ORGANIC CHEM (CN) 2005-08-10 CN disclosed
CN-1616470-A Chiral monophosphorous ligand, synthetic method and its use SHANGHAI INST ORGANIC CHEM (CN) 2005-05-18 CN disclosed
CN-1597114-A Chiral organic, inorganic polymer assembled catalyst, synthesis method and use SHANGHAI INST ORGANIC CHEM (CN) 2005-03-23 CN disclosed
US-6855847-B2 Process for producing optically active amide from α β- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-15 US disclosed
WO-2005000873-A1 PREPARATION OF GLYCOSYLATED AMINO ACIDS, PROTEINS AND PEPTIDES VIA OLEFIN METATHESIS REACTIONS ISIS INNOVATION LIMITED (GB) 2005-01-06 WO disclosed
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION 2003-06-26 US disclosed
EP-1279660-A1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of a transition metal complex containing a phosphine-phosphorane compound and a transition metal Takasago International Corporation (JP) 2003-01-29 EP disclosed
EP-0954375-A4 NOVEL SUPPORTED CATALYSTS SETON HALL UNIVERSITY (US) 2000-06-21 EP disclosed
US-6025295-A CATALYST COMPRISING SUPPORT, HETEROPOLY ACID ANCHORING AGENT, METAL COMPLEX; HYDROGENATION CATALYSTS SETON HALL UNIVERSITY (US) 2000-02-15 US disclosed
US-6005148-A COMPRISING SUPPORT, ANCHORING AGENT SUCH AS HETEROPOLY ACID OR ANION, AND METAL COMPLEX USEFUL IN HYDROGENATION OF SUBSTITUTED UNSATURATED ACIDS AND ESTERS SETON HALL UNIVERSITY (US) 1999-12-21 US disclosed
EP-0954375-A1 NOVEL SUPPORTED CATALYSTS Seton Hall University (US) 1999-11-10 EP disclosed
WO-1998028074-A1 NOVEL SUPPORTED CATALYSTS SETON HALL UNIVERSITY (US) 1998-07-02 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 (2 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-20120309997-A1 Enantiomerically Enriched Aminodiphosphines as Ligands for the Preparation of Catalysts for Asymmetric Synthesis PHOSPHO1, AASDHPPT, AGPS ALDH1A1 3462/4885HCAR2 4276/4885KEAP1 4072/4885
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal PHOSPHO1, NAAA, DEGS1 ALDH1A1 1510/4885HCAR2 1280/4885KEAP1 3996/4885

“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.