SCHEMBL2120400

SCHEMBL2120400

O=C1CC(=O)C2C3CCC(O3)C12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.56
KDM4E B2RXH2 2/20 0.56
GMNN O75496 2/20 0.56
LMNA P02545 2/20 0.56
TFPI2 P48307 2/20 0.56
PMP22 Q01453 2/20 0.56
TP53 P04637 2/20 0.56
NFKB1 P19838 2/20 0.56
THPO P40225 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PPP1CC P36873 1/20 0.56
RAB9A P51151 1/20 0.56
PPP5C P53041 1/20 0.56
PPP1CA P62136 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP2D6 P10635 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 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
SCHEMBL407914 1.00 PPM1B (0.56) PPM1BKDM4EGMNNLMNATFPI2
SCHEMBL18873967 1.00 PPM1B (0.56) PPM1BKDM4EGMNNLMNATFPI2
SCHEMBL13556829 1.00 PPM1B (0.56) PPM1BKDM4EGMNNLMNATFPI2
SCHEMBL14381277 0.72 TP53 (0.56) PPM1BKDM4EGMNNLMNATFPI2
Demethyl-Cantharidin SCHEMBL19318920 0.72 TP53 (1.00) PPM1BKDM4EGMNNLMNATFPI2
Demethyl-Cantharidin SCHEMBL9675442 0.72 TP53 (1.00) PPM1BKDM4EGMNNLMNATFPI2
Demethyl-Cantharidin SCHEMBL3195020 0.72 TP53 (1.00) PPM1BKDM4EGMNNLMNATFPI2
SCHEMBL17773447 0.72 TP53 (0.56) PPM1BKDM4EGMNNLMNATFPI2
SCHEMBL2548229 0.72 TP53 (0.56) PPM1BKDM4EGMNNLMNATFPI2
Demethyl-Cantharidin SCHEMBL177729 0.72 TP53 (1.00) PPM1BKDM4EGMNNLMNATFPI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696686-B2 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2020-06-30 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-10206394-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
EP-3209133-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-10-03 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
EP-3004052-B1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-04-18 EP disclosed
EP-3004043-B1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-01-31 EP disclosed
US-20170320863-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
US-9808003-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2017-11-07 US disclosed
EP-2185564-B1 Herbicidally active cyclopentanedione compounds and derivatives thereof SYNGENTA LTD (GB) 2014-06-18 EP disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 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-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 US disclosed
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
EP-2188294-A2 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES Syngenta Limited (GB) 2010-05-26 EP disclosed
WO-2009030450-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-03-12 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 (9 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-10696686-B2 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof DDT, CNPY2, CNPY3 PPM1B 952/4885KDM4E 406/4885GMNN 1687/4885
US-20170320863-A1 HERBICIDAL COMPOUNDS DHRS9, DDT, MTX1 PPM1B 832/4885KDM4E 1048/4885GMNN 622/4885
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C PPM1B 30/4885KDM4E 1897/4885GMNN 3844/4885
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof DDT, HDHD5, CNPY2 PPM1B 289/4885KDM4E 741/4885GMNN 963/4885
US-20100298140-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 PPM1B 323/4885KDM4E 1070/4885GMNN 1348/4885
US-10206394-B2 Herbicidal compounds GLRX3, DHRS9, DDT PPM1B 759/4885KDM4E 1399/4885GMNN 424/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PPM1B 313/4885KDM4E 1092/4885GMNN 1351/4885
US-20120094832-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 PPM1B 323/4885KDM4E 1070/4885GMNN 1348/4885
US-10301295-B2 Herbicidal compounds DHRS9, DDT, MTX1 PPM1B 832/4885KDM4E 1048/4885GMNN 622/4885

“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.