SCHEMBL6802113

SCHEMBL6802113

CCCCCC(CC)OC(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
CTSK P43235 1/20 0.44
FAAH O00519 2/20 0.40
GPR84 Q9NQS5 5/20 0.39
CA1 P00915 2/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 2/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL26310146 0.90 GPR84 (0.45) FAAHGPR84FFAR1MAPTZDHHC7
SCHEMBL10621540 0.90 GPR84 (0.45) FAAHGPR84FFAR1MAPTZDHHC7
SCHEMBL7128921 0.90 GPR84 (0.45) FAAHGPR84FFAR1MAPTZDHHC7
SCHEMBL9387572 0.90 GPR84 (0.45) FAAHGPR84FFAR1MAPTZDHHC7
SCHEMBL31348960 0.90 GPR84 (0.45) FAAHGPR84FFAR1MAPTZDHHC7
SCHEMBL8534953 0.88 CA2 (0.46) CTSKFAAHGPR84FFAR1MAPT
SCHEMBL12310033 0.88 CA2 (0.46) CTSKFAAHGPR84FFAR1MAPT
SCHEMBL11990796 0.86 CTSK (0.46) CTSKFAAHGPR84FFAR1MAPT
SCHEMBL14712354 0.86 CTSK (0.46) CTSKFAAHGPR84FFAR1MAPT
SCHEMBL5017987 0.85 PRKCA (0.46) PRKCAPRKCDCTSKCA1MAPT

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-117924134-A Method for preparing di (2-ethylhexyl) peroxydicarbonate by one-step method and application thereof 鄂尔多斯市瀚博科技有限公司 2024-04-26 CN claimed
CN-109265384-B Method for preparing di (2-ethylhexyl) peroxydicarbonate 南京工业大学 2021-02-12 CN claimed
EP-3666755-A1 ONLINE FULL CONTINUOUS FLOW PRODUCTION PROCESS FOR DIRECTLY PREPARING ORGANIC PEROXIDE WITH HYDROGEN PEROXIDE AS RAW MATERIAL Shanghai Hybrid-Chem Technologies (CN) 2020-06-17 EP claimed
CN-117924134-A Method for preparing di (2-ethylhexyl) peroxydicarbonate by one-step method and application thereof 鄂尔多斯市瀚博科技有限公司 2024-04-26 CN disclosed
US-10947189-B2 Online continuous flow process for the synthesis of organic peroxides using hydrogen peroxide as raw material SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2021-03-16 US disclosed
CN-109265384-B Method for preparing di (2-ethylhexyl) peroxydicarbonate 南京工业大学 2021-02-12 CN disclosed
CN-111302941-A Method for preparing chloroformic acid-2-ethylhexyl ester 江苏扬农化工集团有限公司 2020-06-19 CN disclosed
EP-3666755-A1 ONLINE FULL CONTINUOUS FLOW PRODUCTION PROCESS FOR DIRECTLY PREPARING ORGANIC PEROXIDE WITH HYDROGEN PEROXIDE AS RAW MATERIAL Shanghai Hybrid-Chem Technologies (CN) 2020-06-17 EP disclosed
US-20200172478-A1 ONLINE CONTINUOUS FLOW PROCESS FOR THE SYNTHESIS OF ORGANIC PEROXIDES USING HYDROGEN PEROXIDE AS RAW MATERIAL SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2020-06-04 US disclosed
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 CN disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 CN disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
US-6762303-B2 OXIDIZING A DIHYDROPYRIDINE COMPOUND IN THE PRESENCE OF NITROUS ACID OR A NITRITE OR A BASE AND HYDROGEN PEROXIDE SOLUTION FUJI PHOTO FILM CO., LTD. (JP) 2004-07-13 US disclosed
US-20020065420-A1 Method for producing pyridine compounds FUJIFILM CORPORATION (JP) 2002-05-30 US disclosed
EP-0332761-A2 Single-functional and mixtures of multifunctional oligomeric performance additive compositions, and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-09-20 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 PRKCA 518/4885PRKCD 770/4885CTSK 1194/4885
US-10947189-B2 Online continuous flow process for the synthesis of organic peroxides using hydrogen peroxide as raw material PPOX, HAO2, AOX1 PRKCA 1604/4885PRKCD 2260/4885CTSK 1143/4885
US-20020065420-A1 Method for producing pyridine compounds NOX1, NOX5, NOX4 PRKCA 2304/4885PRKCD 3146/4885CTSK 3547/4885
US-20200172478-A1 ONLINE CONTINUOUS FLOW PROCESS FOR THE SYNTHESIS OF ORGANIC PEROXIDES USING HYDROGEN PEROXIDE AS RAW MATERIAL PPOX, HAO2, AOX1 PRKCA 1604/4885PRKCD 2260/4885CTSK 1143/4885

“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.