SCHEMBL2160141

SCHEMBL2160141

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.38
TSHR P16473 2/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL27095028 1.00 PRKCA (0.38) PRKCATSHRGRIK1GRIK2ALDH1A1
SCHEMBL31509100 0.84 GRIK1 (0.37) TSHRGRIK1GRIK2
SCHEMBL23923722 0.84 GRIK1 (0.37) TSHRGRIK1GRIK2
SCHEMBL15669528 0.83 GRIK1 (0.36) TSHRGRIK1GRIK2
SCHEMBL15681239 0.83 GRIK1 (0.36) TSHRGRIK1GRIK2
SCHEMBL23923660 0.82 GRIK1 (0.38) TSHRGRIK1GRIK2ALOX15
SCHEMBL1302324 0.82 GRIK1 (0.40) TSHRGRIK1GRIK2ALDH1A1TDP1
SCHEMBL132576 0.82 GRIK1 (0.40) TSHRGRIK1GRIK2ALDH1A1TDP1
SCHEMBL6672603 0.81 GRIK1 (0.35) PRKCATSHRGRIK1GRIK2ALDH1A1
SCHEMBL23923782 0.79 GRIK1 (0.33) GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985412-B2 use of esters such as lavandulyl valerate, lavandulyl isovalerate, or lavandulyl pivalate or lavandulyl 2-methyl butanoate as attractants, to modify behaviour of thrips KEELE UNIVERSITY (GB) 2011-07-26 US claimed
EP-1455577-B1 METHOD OF MONITORING/CONTROLLING THYSANOPTERA UNIV KEELE (GB) 2007-05-02 EP claimed
US-20060041018-A1 Method of monitoring/controlling thysanoptera KEELE UNIVERSTIY (GB) 2006-02-23 US claimed
US-20050037043-A1 Method of monitoring/controlling thysanoptera KEELE UNIVERSITY (GB) 2005-02-17 US claimed
US-20240172746-A1 NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2024-05-30 US disclosed
CN-117956984-A Novel microparticles containing active substances 巴斯夫欧洲公司 2024-04-30 CN disclosed
US-20240058782-A1 New Microcapsules Containing Active Substances BASF SE (DE) 2024-02-22 US disclosed
CN-113527079-B Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof 信越化学工业株式会社 2023-11-14 CN disclosed
EP-3901125-B1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF SHINETSU CHEMICAL CO (JP) 2023-01-18 EP disclosed
US-11286227-B2 Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-29 US disclosed
EP-3901125-A1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 2021-10-27 EP disclosed
CN-113527079-A Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof 信越化学工业株式会社 2021-10-22 CN disclosed
CN-104381256-A Reagent for inducing frankliniella occidentalis ZHEJIANG ACAD AGRICULTURAL SCI 2015-03-04 CN disclosed
WO-2014091185-A1 USE OF A COMPOUND TO CONTROL INSECTS SWANSEA UNIVERSITY (GB) 2014-06-19 WO disclosed
US-7985412-B2 use of esters such as lavandulyl valerate, lavandulyl isovalerate, or lavandulyl pivalate or lavandulyl 2-methyl butanoate as attractants, to modify behaviour of thrips KEELE UNIVERSITY (GB) 2011-07-26 US disclosed
EP-1455577-B1 METHOD OF MONITORING/CONTROLLING THYSANOPTERA UNIV KEELE (GB) 2007-05-02 EP disclosed
US-20060041018-A1 Method of monitoring/controlling thysanoptera KEELE UNIVERSTIY (GB) 2006-02-23 US disclosed
US-20050037043-A1 Method of monitoring/controlling thysanoptera KEELE UNIVERSITY (GB) 2005-02-17 US disclosed
EP-1455577-A1 METHOD OF MONITORING/CONTROLLING THYSANOPTERA KEELE UNIVERSITY (GB) 2004-09-15 EP disclosed
WO-2003055309-A1 METHOD OF MONITORING/CONTROLLING THYSANOPTERA KEELE UNIVERSITY (GB) 2003-07-10 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 (5 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-20240058782-A1 New Microcapsules Containing Active Substances PLA2G2C, PHOSPHO1, PSPH PRKCA 930/4885TSHR 4163/4885GRIK1 3445/4885
US-20240172746-A1 NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES SGMS1, SGMS2, LIPA PRKCA 1217/4885TSHR 2179/4885GRIK1 1407/4885
US-20060041018-A1 Method of monitoring/controlling thysanoptera THOP1, C5, TMT1A PRKCA 4828/4885TSHR 9/4885GRIK1 2511/4885
US-11286227-B2 Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof IGF1R, HPD, IGF2R PRKCA 2917/4885TSHR 329/4885GRIK1 13/4885
US-20050037043-A1 Method of monitoring/controlling thysanoptera THOP1, TRHDE, TRHR PRKCA 4804/4885TSHR 6/4885GRIK1 2484/4885

“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.