SCHEMBL901733

SCHEMBL901733

CCOC(=O)C(Cc1ccc(Cl)cc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
MMP8 P22894 1/20 0.50
PPARA Q07869 4/20 0.44
PPARG P37231 3/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TNF P01375 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NOD2 Q9HC29 1/20 0.44
GPR35 Q9HC97 1/20 0.44
NOD1 Q9Y239 1/20 0.44

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
SCHEMBL2672619 0.92 MMP8 (0.54) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL25403051 0.89 MMP8 (0.55) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL2050344 0.87 MMP8 (0.53) MMP8PPARAPPARGMAPTALDH1A1
SCHEMBL5326604 0.87 MMP8 (0.53) MMP8PPARAPPARGMAPTLMNA
SCHEMBL3773871 0.86 SLC6A2 (0.52) PPARAPPARGLMNAALDH1A1HTT
SCHEMBL534033 0.86 EPHX2 (0.49) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL7696784 0.85 ESR1 (0.51) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL15274695 0.85 EPHX2 (0.49) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL7057182 0.84 EPHX2 (0.44) EPHX2PPARAPPARGMAPTLMNA
SCHEMBL15454448 0.84 SLC6A2 (0.50) PPARAPPARGLMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180745-A1 Acylacetate and amidine intermediates for pyrimidone compounds, and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-05-14 EP claimed
US-11851435-B2 PTGR2 inhibitors and their use NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-12-26 US disclosed
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE NATIONAL TAIWAN UNIVERSITY (TW) 2023-09-07 US disclosed
CN-116287032-A Method for preparing 3-oxo-ethyl butyrate derivative by reacting aromatic aldehyde with ethyl acetoacetate under enzyme catalysis 岭南师范学院 2023-06-23 CN disclosed
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-06-03 US disclosed
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-06-03 US disclosed
US-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2020-10-08 US disclosed
US-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2020-10-08 US disclosed
WO-2017210678-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2017-12-07 WO disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-6538022-B1 Three-dimensional structure of the cytosolic domain of phospholamban (PLB) and its active site from NMR data of sufficiently high resolution for the three-dimensional structure determination. rational drug design enabling the ORION CORPORATION (FI) 2003-03-25 US disclosed
EP-1039884-B1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORP (FI) 2002-09-18 EP disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
EP-1039884-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 2000-10-04 EP disclosed
EP-1017691-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (ORION-YHTYMA OY) (FI) 2000-07-12 EP disclosed
EP-1001774-A1 USE OF PHOSPHOLAMBAN INHIBITORS TO INCREASING CORONARY FLOW ORION CORPORATION (FI) 2000-05-24 EP disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed
WO-1999030696-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 1999-06-24 WO disclosed
WO-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed
WO-1999000132-A1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORPORATION (FI) 1999-01-07 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-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ADRM1, LRRK2 EPHX2 3239/4885MMP8 2965/4885PPARA 2066/4885
US-11851435-B2 PTGR2 inhibitors and their use PTGFR, PTGIR, PTGDR2 EPHX2 428/4885MMP8 1671/4885PPARA 494/4885
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE PTGFR, PTGIR, PTGDR2 EPHX2 428/4885MMP8 1671/4885PPARA 494/4885
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ADRM1, LRRK2 EPHX2 3239/4885MMP8 2965/4885PPARA 2066/4885

“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.