SCHEMBL987005

SCHEMBL987005

COC1=C(c2c(C)cc(Br)cc2C)C(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NQO2 P16083 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL19279449 0.92 KDM4E (0.36) KDM4E
SCHEMBL16179135 0.88 KDM4E (0.31) KDM4E
SCHEMBL430714 0.86 KDM4E (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1652644 0.83 PTGS1 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19279527 0.83 KDM4E (0.36) KDM4EALDH1A1MAPT
SCHEMBL14993143 0.82 KDM4E (0.34) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14992891 0.78
SCHEMBL1653632 0.78 PDE4B (0.38) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL14992958 0.77 KDM4E (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL16269497 0.77 KDM4E (0.37) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074755-B Herbicidal compounds 先正达参股股份有限公司 2020-03-17 CN disclosed
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2019-08-13 US disclosed
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2019-08-13 US disclosed
US-10301295-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-05-28 US disclosed
US-10301295-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-05-28 US disclosed
EP-3004063-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-07-18 EP disclosed
EP-3004063-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-07-18 EP disclosed
US-20170320863-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
US-20170320863-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
US-20170320863-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
WO-2013079708-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2013-06-06 WO disclosed
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA LIMITED (GB) 2013-02-28 US disclosed
EP-2512237-A2 2 -ARYL-3 -HYDROXY-CYCLOPENTENONES AS INSECTICIDES, ACARICIDES, NEMATOCIDES AND MOLLUSCICIDES Syngenta Participations AG (CH) 2012-10-24 EP disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 US disclosed
EP-2454223-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES Syngenta Limited (GB) 2012-05-23 EP disclosed
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 US disclosed
WO-2011073060-A2 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2011-06-23 WO disclosed
EP-2313370-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES Syngenta Limited (GB) 2011-04-27 EP disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 WO disclosed
WO-2010000773-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA LIMITED (GB) 2010-01-07 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 (6 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-20170320863-A1 HERBICIDAL COMPOUNDS DHRS9, DDT, MTX1 KDM4E 1048/4885ALDH1A1 141/4885GLA 2677/4885
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof DDT, HDHD5, CNPY2 KDM4E 741/4885ALDH1A1 181/4885GLA 4144/4885
US-20120178623-A1 NOVEL HERBICIDES DDT, CBR3, C9 KDM4E 461/4885ALDH1A1 1048/4885GLA 1902/4885
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES DDT, CYP1B1, AHR KDM4E 888/4885ALDH1A1 50/4885GLA 2766/4885
US-10301295-B2 Herbicidal compounds DHRS9, DDT, MTX1 KDM4E 1048/4885ALDH1A1 141/4885GLA 2677/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 KDM4E 1801/4885ALDH1A1 386/4885GLA 1062/4885

“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.