SCHEMBL1784040

SCHEMBL1784040

CC(C)(CCCC(C)(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 5/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
HIF1A Q16665 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A3 Q01959 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR1A P08908 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL263461 0.92 TDP1 (0.58) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL28875160 0.91 CYP2D6 (0.51) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL16044959 0.91 CYP2D6 (0.44) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL22283498 0.89 CYP2D6 (0.49) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL18334312 0.89 CYP2D6 (0.49) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL16673244 0.89 TDP1 (0.47) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL12394143 0.87 CYP2D6 (0.54) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL16048079 0.87 CYP2D6 (0.42) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL24990590 0.86 CYP2D6 (0.49) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL6573333 0.86 CYP2D6 (0.49) CYP2D6CYP2C19CYP1A2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP claimed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US claimed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US claimed
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 claimed
CN-1580033-A Glycol ester compound for preparing catalyst for olefinic polymerization CHINA PETROCHEMICAL CORP (CN) 2005-02-16 CN claimed
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-3486263-A2 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE W.R. Grace & CO. - CONN. (US) 2019-05-22 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
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-9796796-B2 Self-limiting catalyst composition with No silane W. R. GRACE & CO.-CONN. (US) 2017-10-24 US disclosed
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP 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-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US 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
CN-1580033-A Glycol ester compound for preparing catalyst for olefinic polymerization CHINA PETROCHEMICAL CORP (CN) 2005-02-16 CN 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 CYP2D6 1360/4885CYP2C19 1372/4885CYP1A2 1115/4885

“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.