SCHEMBL6904379

SCHEMBL6904379

C=C(NC(C)=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
HPGD P15428 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
EGFR P00533 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
JAK1 P23458 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 4/20 0.48

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
SCHEMBL29851622 1.00 CES2 (0.53) CES2CES1HPGDKMT2AKDM4E
SCHEMBL27373888 0.82 NPC1 (0.58) CES2CES1HPGDKMT2AKDM4E
SCHEMBL22561759 0.81 KMT2A (0.45) CES2CES1HPGDKMT2AKDM4E
SCHEMBL7723773 0.78 CES2 (0.52) CES2CES1HPGDKMT2AKDM4E
SCHEMBL7723776 0.78 CES2 (0.52) CES2CES1HPGDKMT2AKDM4E
SCHEMBL28471256 0.78 NPC1 (0.54) CES2CES1HPGDKMT2AKDM4E
SCHEMBL979427 0.77 CES1 (0.46) CES2CES1HPGDKMT2AKDM4E
SCHEMBL14925777 0.77 NPC1 (0.52) CES2CES1HPGDKMT2AKDM4E
SCHEMBL30924789 0.77 HPGD (0.59) CES2CES1HPGDKMT2AKDM4E
SCHEMBL7913771 0.77 HPGD (0.59) CES2CES1HPGDKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368351-A Preparation method and application of polysubstituted oxazole compound 广东工业大学 2022-11-22 CN disclosed
US-10196413-B2 Chiral dihydrobenzoazaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-05 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
WO-2018106621-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-14 WO disclosed
US-20180155377-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-07 US disclosed
US-20180155377-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-07 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 US disclosed
CN-100482671-C Chiral monophosphorous ligand, synthetic method and its use SHANGHAI INST ORGANIC CHEM (CN) 2009-04-29 CN disclosed
WO-2007115185-A2 PREPARATION OF CHIRAL AMIDES AND AMINES SEPRACOR INC. (US) 2007-10-11 WO 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-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-6794525-B2 USING CHIRAL DIPHOSPHINES AS OPTICALLY ACTIVE LIGANDS FOR THE PREPARATION OF DIPHOSPHINO-METAL COMPLEXES PPG-SIPSY (FR) 2004-09-21 US disclosed
US-20030195369-A1 Optically active chiral diphosphine ligands PPG-SIPSY (FR) 2003-10-16 US disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 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 (7 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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 CES2 275/4885CES1 1643/4885HPGD 582/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 CES2 281/4885CES1 1627/4885HPGD 630/4885
US-20180155377-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF FDPS, GNPAT, PPIP5K2 CES2 3710/4885CES1 4257/4885HPGD 2653/4885
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 CES2 275/4885CES1 1643/4885HPGD 582/4885
US-10196413-B2 Chiral dihydrobenzoazaphosphole ligands and synthesis thereof DHODH, FDPS, GNPAT CES2 3276/4885CES1 4030/4885HPGD 2238/4885
US-20030195369-A1 Optically active chiral diphosphine ligands NR4A1, GPR4, HTR4 CES2 2542/4885CES1 1787/4885HPGD 3744/4885
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 CES2 1154/4885CES1 4116/4885HPGD 758/4885

“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.