SCHEMBL1938229

SCHEMBL1938229

CCOC(=O)CCNC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP1A2 P05177 1/20 0.45
ADH1B P00325 3/20 0.44
ADH1A P07327 3/20 0.44
ADH7 P40394 3/20 0.44
ADH1C P00326 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.40
EPHX1 P07099 1/20 0.40
ADH4 P08319 1/20 0.40

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
SCHEMBL8847905 0.91 CYP1A2 (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL8176277 0.88 CYP1A2 (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL5651631 0.88 CYP1A2 (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL11788415 0.86 ADH1B (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL5528695 0.86 ADH1B (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL7197794 0.86 MGAM (0.45) GAAMGAMSIMGAM2CYP1A2
SCHEMBL28189528 0.84 ADH1B (0.46) ADH1BADH1AADH7ADH1CALDH1A1
SCHEMBL4464939 0.82 GAA (0.59) GAAMGAMSIMGAM2CYP1A2
SCHEMBL27703892 0.81 ADH1B (0.50) ADH1BADH1AADH7ADH1CALDH1A1
Hydrochloric Acid SCHEMBL11851530 0.80 GAA (0.56) GAAMGAMSIMGAM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
US-8530650-B2 2, 5-diamino-substituted pyrido [4, 3-D] pyrimidines as autotaxin inhibitors against cancer MERCK PATENT GMBH (DE) 2013-09-10 US claimed
EP-2331503-B1 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2013-08-21 EP claimed
EP-2352732-B1 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2013-02-20 EP claimed
US-8334288-B2 4-phenoxymethylpiperidines as modulators of GPR119 activity IRM LLC (BM) 2012-12-18 US claimed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US claimed
JP-2011527701-A 2011-11-04 JP claimed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 US claimed
WO-2010006191-A1 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-14 WO claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 US claimed
EP-1261731-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS Urtti, Arto (FI) 2002-12-04 EP claimed
WO-2001062946-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS URTTI ARTO (FI) 2001-08-30 WO claimed
EP-0271443-B1 N,N'-DISUBSTITUTED UREAS AND PROCESS FOR THEIR PRODUCTION CIBA-GEIGY AG (CH) 1990-10-17 EP claimed
US-4940811-A METAL SCAVENGING PHARMACEUTICAL CIBA-GEIGY CORPORATION (US) 1990-07-10 US claimed
EP-0271443-A1 N,N'-disubstituted ureas and process for their production CIBA-GEIGY AG (CH) 1988-06-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 GAA 1302/4885MGAM 4800/4885SI 3330/4885
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER ENPP2, PLA2G4A, PLA2G4B GAA 1735/4885MGAM 4024/4885SI 1888/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA GAA 2680/4885MGAM 4818/4885SI 4682/4885

“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.