SCHEMBL1785955

SCHEMBL1785955

CC(COC(=O)c1ccccc1)C(C)COC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
ADRB2 P07550 2/20 0.63
ADRB1 P08588 2/20 0.63
ADRB3 P13945 2/20 0.63
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 2/20 0.57
KMT2A Q03164 3/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TSHR P16473 3/20 0.55
MAPT P10636 1/20 0.54
SLC1A5 Q15758 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
F2 P00734 1/20 0.50
PRKCA P17252 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL1754909 0.92 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL28686071 0.91 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL16045368 0.90 ALDH1A1 (0.57) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL7899605 0.89 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL17001644 0.89 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3LMNA
Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 0.88 TSHR (0.69) ALDH1A1ADRB2ADRB1ADRB3LMNA
Benzoic Acid 2-Methylpropyl Ester SCHEMBL298176 0.88 TSHR (0.69) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL571219 0.88 ALDH1A1 (0.69) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL1783870 0.88 ALDH1A1 (0.59) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL1926524 0.86 ALDH1A1 (0.72) ALDH1A1ADRB2ADRB1ADRB3LMNA

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
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-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 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
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
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO 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 ALDH1A1 3489/4885ADRB2 2167/4885ADRB1 3099/4885

“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.