SCHEMBL12134147

SCHEMBL12134147

Cc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)CC(C2CCOC2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.43
ACACA Q13085 10/20 0.43
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ABL1 P00519 2/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MST1R Q04912 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
CAMK1D Q8IU85 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL12134155 0.95 ACACB (0.43) ACACBACACAHDAC1HDAC2ABL1
SCHEMBL12134150 0.88 HDAC1 (0.33) ACACBACACAHDAC1HDAC2JAK2
SCHEMBL10207868 0.85 ACACB (0.44) ACACBACACAHDAC1HDAC2EDNRB
SCHEMBL12134145 0.84 RORC (0.35) MAOBALDH1A1
SCHEMBL12134153 0.82 HDAC1 (0.36) ACACBACACAHDAC1HDAC2JAK2
SCHEMBL10207888 0.81 ACACB (0.44) ACACBACACAHDAC1HDAC2EDNRB
SCHEMBL468674 0.81 ACACB (0.47) ACACBACACAABL1JAK2NTRK1
SCHEMBL10207881 0.81 ACACB (0.43) ACACBACACAHDAC1HDAC2KDM1A
SCHEMBL10207938 0.80 ACACB (0.39) ACACBACACAHDAC1HDAC2KDM1A
SCHEMBL2355425 0.79 ACACB (0.46) ACACBACACAABL1JAK2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536351-B2 2-aryl-5-heterocyclyl-cyclohexane-1,3,dione compounds and their use as herbicides SYNGENTA CROP PROTECTION LLC (US) 2013-09-17 US disclosed
US-8536351-B2 2-aryl-5-heterocyclyl-cyclohexane-1,3,dione compounds and their use as herbicides SYNGENTA CROP PROTECTION LLC (US) 2013-09-17 US disclosed
US-20110281930-A1 Use of 2-Aryl-5-heterocyclyl-cyclohexane-1,3-dione Compounds as Insecticides, Acaricides, and/ or Fungicides BAYER CROPSCIENCE AG (DE) 2011-11-17 US disclosed
US-20110281930-A1 Use of 2-Aryl-5-heterocyclyl-cyclohexane-1,3-dione Compounds as Insecticides, Acaricides, and/ or Fungicides BAYER CROPSCIENCE AG (DE) 2011-11-17 US disclosed
EP-2134699-B1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-05-11 EP disclosed
WO-2010081687-A1 USE OF 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-L,3-DIONE COMPOUNDS AS INSECTICIDES, ACARICIDES AND / OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-22 WO disclosed
US-20100113270-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3,DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
US-20100113270-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3,DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US 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-20100113270-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3,DIONE COMPOUNDS AND THEIR USE AS HERBICIDES C3AR1, C5, C9 ACACB 2438/4885ACACA 2767/4885HDAC1 2397/4885
US-20110281930-A1 Use of 2-Aryl-5-heterocyclyl-cyclohexane-1,3-dione Compounds as Insecticides, Acaricides, and/ or Fungicides DDT, CYP1B1, CYP1A1 ACACB 790/4885ACACA 299/4885HDAC1 188/4885

“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.