SCHEMBL10079504

SCHEMBL10079504

COc1cc(C)c(C2=C(O)CC3(CCOCC3)CC2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP19A1 P11511 2/20 0.31
NQO2 P16083 1/20 0.31
ALDH1A1 P00352 4/20 0.30
MAPT P10636 2/20 0.30
GLA P06280 1/20 0.30
ELANE P08246 1/20 0.30
ALOX15 P16050 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TAS2R31 P59538 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
SCHEMBL10079467 0.88 TSHR (0.36) CYP11B2ALDH1A1MAPT
SCHEMBL10079506 0.84 ALDH1A1 (0.40) KDM4ESMN1; SMN2CYP3A4CYP19A1ALDH1A1
SCHEMBL10079522 0.81 EHMT2 (0.35) CYP11B2KDM4ESMN1; SMN2HPGDCYP3A4
SCHEMBL10079472 0.79 TSHR (0.33) CYP11B2ATM
SCHEMBL10079463 0.77 MEN1 (0.32) CYP11B2GAAHPGDALDH1A1ATM
SCHEMBL10079476 0.74 BRD4 (0.38) CYP11B2KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL10079441 0.74
SCHEMBL10079502 0.74 LMNA (0.36) CYP11B2KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL10079513 0.73 ACACB (0.33)
SCHEMBL10079512 0.72 CYP11B2 (0.39) CYP11B2KDM4EALDH1A1

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 CYP11B2 465/4885KDM4E 1353/4885SMN1; SMN2 3552/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD CYP11B2 1698/4885KDM4E 756/4885SMN1; SMN2 4024/4885

“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.