SCHEMBL10079477

SCHEMBL10079477

COC1CCC2(CC1)CC(=O)C(c1cc(C)ccc1C)=C(O)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.43
ACACA Q13085 8/20 0.43
BRD4 O60885 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ATM Q13315 2/20 0.32
WEE1 P30291 1/20 0.32
KDM4E B2RXH2 2/20 0.32
BACE1 P56817 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL13263754 0.86 ACACB (0.40) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL10079517 0.85 ACACB (0.55) ACACBACACABACE1
SCHEMBL10079513 0.82 ACACB (0.33) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL10079776 0.81 ACACB (0.37) ACACBACACABRD4CHRM2CHRM4
SCHEMBL10079476 0.81 BRD4 (0.38) BRD4ATMWEE1KDM4EHTT
SCHEMBL10079488 0.81 BRD4 (0.38) BRD4ATMWEE1KDM4EHTT
SCHEMBL10079777 0.79 ACACB (0.35) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL10079510 0.78 BACE1 (0.37) ACACBACACABACE1
SCHEMBL10079516 0.77 GRM1 (0.32)
SCHEMBL14070405 0.76 ACACB (0.35) ACACBACACACHRM2CHRM4CHRM5

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 487/4885BRD4 4152/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD ACACB 795/4885ACACA 1755/4885BRD4 1416/4885

“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.