SCHEMBL10079776

SCHEMBL10079776

CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)CC2(CCC(OC)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.37
ACACA Q13085 3/20 0.37
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 2/20 0.33
GAA P10253 1/20 0.33
MDM2 Q00987 1/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 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
SCHEMBL10079777 0.86 ACACB (0.35) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL10079774 0.85 ALDH1A1 (0.37) SMN1; SMN2ALOX12GAAPOLBNPC1
SCHEMBL14070405 0.83 ACACB (0.35) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL10079477 0.81 ACACB (0.43) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL10079779 0.81 ACACB (0.33) ACACBACACA
Spirotetramat SCHEMBL27350845 0.77 ACACB (0.49) ACACBACACASMN1; SMN2MDM2POLB
Spirotetramat SCHEMBL14855635 0.77 ACACB (0.49) ACACBACACASMN1; SMN2MDM2POLB
Spirotetramat SCHEMBL26389 0.77 ACACB (0.49) ACACBACACASMN1; SMN2MDM2POLB
Spirotetramat SCHEMBL337030 0.77 ACACB (0.49) ACACBACACASMN1; SMN2MDM2POLB
Spirotetramat SCHEMBL12022413 0.77 ACACB (0.49) ACACBACACASMN1; SMN2MDM2POLB

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 487/4885CHRM2 28/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD ACACB 795/4885ACACA 1755/4885CHRM2 1173/4885

“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.