SCHEMBL1785535

SCHEMBL1785535

CC(C)CCC(COC(=O)c1cccc(Cl)c1)(COC(=O)c1cccc(Cl)c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A4 P31645 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
ITGA5 P08648 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18249394 0.86 SLC6A2 (0.38) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL1786897 0.84 ALDH1A1 (0.43) GAAALDH1A1L3MBTL1RAB9ACHRNB2
SCHEMBL561534 0.84 MAPK1 (0.54) ALDH1A1RAB9ASLC6A2SLC6A3CYP2C19
Ethylene Glycol SCHEMBL17996174 0.81 MAPK1 (0.50) ALDH1A1RAB9ASLC6A2SLC6A3CYP2C19
SCHEMBL4828299 0.80 ALDH1A1 (0.40) GAAALDH1A1L3MBTL1RAB9ACHRNB2
SCHEMBL6057367 0.80 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL18544016 0.80 MAPK1 (0.49) ALDH1A1RAB9ASLC6A2SLC6A3CYP2C19
SCHEMBL5082826 0.79 CYP2B6 (0.47) ALDH1A1L3MBTL1RAB9AHPGDSLC6A2
SCHEMBL4577217 0.78 MAPK1 (0.50) ALDH1A1RAB9ASLC6A2SLC6A3CYP2C19
SCHEMBL1787133 0.78 ADRB2 (0.45) GAAALDH1A1RAB9AHPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805277-A1 PROCATALYST COMPOSITIONS USEFUL FOR LOW COMONOMER INCORPORATION AND PROCESS FOR PREPARING THE SAME Dow Global Technologies LLC (US) 2021-04-14 EP disclosed
US-10954324-B2 Catalyst component for high activity and high stereoselectivity in olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2021-03-23 US disclosed
EP-3478730-B1 PROCESS FOR PREPARING A PROCATALYST COMPOSITIONS USEFUL FOR LOW COMONOMER INCORPORATION DOW GLOBAL TECHNOLOGIES LLC (US) 2021-03-10 EP disclosed
US-20190322774-A1 PROCATALYST COMPOSITIONS USEFUL FOR LOW COMONOMER INCORPORATION AND PROCESS FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2019-10-24 US disclosed
EP-3486263-A2 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE W.R. Grace & CO. - CONN. (US) 2019-05-22 EP disclosed
EP-3478730-A1 PROCATALYST COMPOSITIONS USEFUL FOR LOW COMONOMER INCORPORATION AND PROCESS FOR PREPARING THE SAME Dow Global Technologies LLC (US) 2019-05-08 EP disclosed
EP-2185600-B1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE GRACE W R & CO (US) 2018-10-31 EP disclosed
US-20180066084-A1 Catalyst Component for High Activity and high Stereoselectivity in Olefin Polymerization FORMOSA PLASTICS CORPORATION, U.S.A. 2018-03-08 US disclosed
WO-2018005789-A1 PROCATALYST COMPOSITIONS USEFUL FOR LOW COMONOMER INCORPORATION AND PROCESS FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-04 WO disclosed
US-9815918-B2 Catalyst component for high activity and high stereoselectivity in olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2017-11-14 US disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-20110124491-A1 Self-Limiting Catalyst Composition with No Silane W. R. GRACE & CO.-CONN. 2011-05-26 US disclosed
US-20100273641-A1 Self-Limiting Catalyst Composition with Non-Phthalate Internal Donor W. R. GRACE & CO.-CONN. 2010-10-28 US disclosed
US-7332455-B2 Catalyst component and catalyst for olefin polymerization as well as use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-02-19 US disclosed
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
EP-1478617-A4 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2006-04-19 EP disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed
US-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL (CN) 2005-05-05 US disclosed
EP-1478617-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-24 EP disclosed
WO-2003068723-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 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 (1 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-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CBR3, CBR1, OXER1 CHRM2 144/4885CHRM4 200/4885CHRM1 136/4885

“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.