SCHEMBL10079510

SCHEMBL10079510

COC1CCC2(CC1)CC(=O)C(c1ccc(Cl)cc1Cl)=C(O)C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.37
SLC6A3 Q01959 6/20 0.37
ACACB O00763 3/20 0.37
ACACA Q13085 3/20 0.37
PTGS2 P35354 2/20 0.36
DPP4 P27487 1/20 0.36
SLC6A4 P31645 5/20 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
SCHEMBL13263754 0.90 ACACB (0.40) BACE1SLC6A3ACACBACACADPP4
SCHEMBL10079517 0.82 ACACB (0.55) BACE1ACACBACACA
SCHEMBL10079477 0.78 ACACB (0.43) BACE1ACACBACACA
SCHEMBL10079513 0.74 ACACB (0.33) BACE1ACACBACACA
SCHEMBL10079516 0.71 GRM1 (0.32)
SCHEMBL10079512 0.71 CYP11B2 (0.39) PTGS2
SCHEMBL14700752 0.66 ACACB (0.74) SLC6A3ACACBACACA
SCHEMBL14689885 0.66 ACACB (0.74) SLC6A3ACACBACACA
SCHEMBL2348234 0.66 ACACB (0.74) SLC6A3ACACBACACA
SCHEMBL13817835 0.65 HTT (0.43) BACE1ACACBACACAPTGS2

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 9 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
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 BACE1 2668/4885SLC6A3 3823/4885ACACB 1253/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD BACE1 3529/4885SLC6A3 896/4885ACACB 795/4885

“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.