SCHEMBL10079442

SCHEMBL10079442

Cc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.45
ACACA Q13085 12/20 0.45
CYP11B2 P19099 3/20 0.39
MAP4K4 O95819 1/20 0.36
MAPK14 Q16539 2/20 0.34
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
MET P08581 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
MAP2K1 Q02750 1/20 0.32
MST1R Q04912 1/20 0.32
NTRK3 Q16288 1/20 0.32

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
SCHEMBL15107412 0.91 ACACB (0.38) ACACBACACACYP11B2MAPK14RARB
SCHEMBL10079523 0.89 HDAC2 (0.39) ACACBACACACYP11B2MAPK14
SCHEMBL6113605 0.89 ACACB (0.47) ACACBACACACYP11B2RARBRARG
SCHEMBL10079443 0.87 CYP11B2 (0.38) ACACBACACACYP11B2MAP4K4JAK2
SCHEMBL15107417 0.84 PGR (0.35) ACACBACACACYP11B2
SCHEMBL10079512 0.84 CYP11B2 (0.39) CYP11B2
SCHEMBL10079476 0.83 BRD4 (0.38) CYP11B2MAPK14
SCHEMBL10079517 0.83 ACACB (0.55) ACACBACACA
SCHEMBL2355638 0.81 ACACB (0.50) ACACBACACA
SCHEMBL10079524 0.80 HDAC2 (0.39) ACACBACACACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487118-B2 Cyclic diones and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2013-07-16 US disclosed
US-8487118-B2 Cyclic diones and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2013-07-16 US disclosed
US-20120046464-A1 Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-02-23 US disclosed
US-20120046464-A1 Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-02-23 US disclosed
US-8084649-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-8084649-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
WO-2010081689-A2 CYCLIC DIONES AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-22 WO disclosed
US-20100173774-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-08 US disclosed
US-20100173774-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-08 US disclosed
WO-2008110308-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 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-20120046464-A1 Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides DDT, CYP19A1, RDX ACACB 1253/4885ACACA 487/4885CYP11B2 465/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD ACACB 795/4885ACACA 1755/4885CYP11B2 1698/4885

“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.