SCHEMBL12129358

SCHEMBL12129358

CCc1ccc(-c2ccc(Cl)cc2C)cc1C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.33
ACACB O00763 4/20 0.33
ACACA Q13085 4/20 0.33
GCGR P47871 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NOTUM Q6P988 1/20 0.30
SCN9A Q15858 1/20 0.30
CNR1 P21554 1/20 0.30
HSD17B1 P14061 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
SCHEMBL12129405 0.91 ACACB (0.37) ABL1SUCNR1ACACBACACAALDH1A1
SCHEMBL12129360 0.90 PTGS2 (0.35) GCGRALDH1A1LMNA
SCHEMBL12129337 0.89 ACACB (0.41) ABL1SUCNR1ACACBACACASLC1A3
SCHEMBL12129391 0.88 CNR1 (0.33) ALDH1A1LMNASCN9ACNR1
SCHEMBL12129400 0.88 RORC (0.33) ALDH1A1LMNACNR1
SCHEMBL12129336 0.87 ACACB (0.38) ACACBACACAALDH1A1LMNAHSD17B1
SCHEMBL12129403 0.87 CTSD (0.34) ALDH1A1LMNASCN9A
SCHEMBL12129382 0.86 ROCK2 (0.36) ACACBACACAALDH1A1LMNAHSD17B1
SCHEMBL12129381 0.85 AKR1C3 (0.36) ACACBACACAGCGRSLC1A3SLC1A2
SCHEMBL12129395 0.84 PGR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
EP-2102181-B1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-8680012-B2 4-phenyl-pyrane-3,5-diones,4-phenyl-thiopyrane-3,6-diones and cyclohexanetriones as novel herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-03-25 US disclosed
US-8680012-B2 4-phenyl-pyrane-3,5-diones,4-phenyl-thiopyrane-3,6-diones and cyclohexanetriones as novel herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-03-25 US disclosed
US-20110281883-A1 4-Phenyl-pyrane-3,5-diones, 4-Phenyl-thiopyrane-3,5-diones and Cyclohexanetriones and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2011-11-17 US disclosed
US-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-08-19 US disclosed
US-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-08-19 US disclosed
WO-2010081688-A2 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-22 WO disclosed
WO-2009150095-A1 PESTICIDAL COMPOSITIONS CONTAINING A PYRANDIONE OR A THIOPYRANDIONE OR A CYCLOHEXANETRIONE DERIVATIVE SYNGENTA PARTICIPATIONS AG (CH) 2009-12-17 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 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 (2 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-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES DDT, HPD, CYP4B1 ABL1 4014/4885SUCNR1 2269/4885ACACB 2039/4885
US-20110281883-A1 4-Phenyl-pyrane-3,5-diones, 4-Phenyl-thiopyrane-3,5-diones and Cyclohexanetriones and Their Use as Insecticides, Acaricides and/or Fungicides DDT, CYP4B1, CYP1B1 ABL1 2371/4885SUCNR1 1713/4885ACACB 1352/4885

“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.