SCHEMBL5079328

SCHEMBL5079328

CC(C)CCC(CO)(COC(=O)c1ccccc1-c1ccccc1C(=O)O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
BRS3 P32247 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.36
PTPN11 Q06124 1/20 0.36
KCNA5 P22460 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL5079331 0.95 TSHR (0.43) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL4839324 0.92 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10MAPK1
SCHEMBL5081347 0.89 TSHR (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL5079332 0.88 LTB4R2 (0.43) ALDH1A1LTB4R2BRS3KDM4EHSD17B10
SCHEMBL4577217 0.83 MAPK1 (0.50) ALDH1A1TSHRSCN1ASCN2ASCN3A
Phthalic Acid SCHEMBL5081349 0.81 ALDH1A1 (0.44) ALDH1A1TSHRLTB4R2BRS3KDM4E
SCHEMBL561534 0.76 MAPK1 (0.54) ALDH1A1TSHRSCN1ASCN2ASCN3A
Ethylene Glycol SCHEMBL17996174 0.75 MAPK1 (0.50) ALDH1A1TSHRSCN1ASCN2ASCN3A
Benzoic Acid SCHEMBL4577223 0.73 MAPK1 (0.46) TSHRKDM4EHSD17B10MAPK1KMT2A
Benzoic Acid SCHEMBL561535 0.73 MAPK1 (0.46) TSHRKDM4EHSD17B10MAPK1KMT2A

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 10 patents. 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-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
EP-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP 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 ALDH1A1 3489/4885TSHR 921/4885SCN1A 4531/4885

“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.