SCHEMBL869032

SCHEMBL869032

CC1(C)OC(C)(C)C(=O)C(c2cc(-c3ccc(Cl)cc3Cl)ccc2C2CC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
CNR1 P21554 9/20 0.37
CNR2 P34972 9/20 0.37
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 2/20 0.35
MGLL Q99685 1/20 0.34
CTSD P07339 1/20 0.34
HTT P42858 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL14983792 0.90 DGAT1 (0.36) PDK1PDK2PDK3PDK4
SCHEMBL867844 0.89 FASN (0.38) PTGS2CTSD
SCHEMBL3026367 0.87 PGR (0.39) CNR1CNR2
SCHEMBL2036052 0.84 CNR2 (0.38) CNR2SLC6A3CTSD
SCHEMBL868403 0.82 MARS1 (0.36) EDNRBEDNRACNR1CNR2PTGS2
SCHEMBL12632679 0.82 FASN (0.35) PTGS2CTSD
SCHEMBL2037804 0.82 F9 (0.36) CTSD
SCHEMBL1319794 0.80 EDNRB (0.41) EDNRBEDNRACNR1PTGS2SLC6A3
SCHEMBL10121157 0.79 EDNRB (0.39) EDNRBEDNRACNR1CNR2PTGS2
SCHEMBL29435275 0.79 EDNRB (0.39) EDNRBEDNRACNR1CNR2PTGS2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160950-B1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP 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
EP-2935230-B1 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREOF, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LTD (GB) 2018-01-17 EP disclosed
EP-3209657-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2017-08-30 EP disclosed
EP-2986593-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2017-07-19 EP disclosed
US-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2014-05-15 US disclosed
US-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (US) 2013-05-30 US disclosed
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (US) 2013-05-30 US disclosed
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (US) 2013-05-30 US disclosed
WO-2012175899-A1 HERBICIDAL COMPOSITION COMPRISING A PYRANDIONE HERBICIDE AND A SULFONYL UREA HERBICIDE SYNGENTA LIMITED (GB) 2012-12-27 WO disclosed
EP-2523555-A2 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES Syngenta Limited (GB) 2012-11-21 EP disclosed
US-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 US disclosed
WO-2011073616-A2 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (GB) 2011-06-23 WO disclosed
WO-2010136431-A9 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2011-03-10 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 (3 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-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, CYP1B1 EDNRB 3491/4885EDNRA 1810/4885CNR1 1599/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 EDNRB 4107/4885EDNRA 2919/4885CNR1 1512/4885
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES FOXM1, ARSA, RPS21 EDNRB 2387/4885EDNRA 2144/4885CNR1 2913/4885

“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.