SCHEMBL12129403

SCHEMBL12129403

CCc1ccc(-c2cc(Cl)ccc2F)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
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
MME P08473 5/20 0.33
FASN P49327 1/20 0.32
IL2 P60568 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MMEL1 Q495T6 1/20 0.31
ACE P12821 1/20 0.31
SCN9A Q15858 1/20 0.30
DGAT1 O75907 1/20 0.30
CTSA P10619 2/20 0.30
MCL1 Q07820 1/20 0.30
GCG P01275 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
SCHEMBL12129391 0.92 CNR1 (0.33) CTSDBACE1FASNIL2ALDH1A1
SCHEMBL12129400 0.90 RORC (0.33) ALDH1A1LMNA
SCHEMBL12129405 0.89 ACACB (0.37) ALDH1A1LMNASCN9A
SCHEMBL12129360 0.88 PTGS2 (0.35) ALDH1A1LMNAGCG
SCHEMBL12129336 0.87 ACACB (0.38) ALDH1A1LMNADGAT1
SCHEMBL12129358 0.87 ABL1 (0.34) ALDH1A1LMNASCN9A
SCHEMBL12129419 0.86 ACACB (0.40) CTSDBACE1FASNIL2
SCHEMBL12129359 0.85 ACACB (0.41) IL2SCN9A
SCHEMBL12129381 0.85 AKR1C3 (0.36) SCN9A
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 CTSD 3631/4885BACE1 3624/4885MME 3649/4885
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 CTSD 3760/4885BACE1 2635/4885MME 4266/4885

“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.