SCHEMBL10079775

SCHEMBL10079775

Cc1ccc(C)c(C2=C(OC(=O)OCC(C)(C)C)CC3(CCOCC3)CC2=O)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RAD52 P43351 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ACACB O00763 2/20 0.31
BRD4 O60885 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
SCHEMBL10079774 0.90 ALDH1A1 (0.37) ATMKDM4ERAD52ALDH1A1TSHR
SCHEMBL13263633 0.84 ALDH1A1 (0.31) ALDH1A1TSHRBRD4
SCHEMBL10079733 0.82
SCHEMBL13263968 0.79 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL10079778 0.77 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL10079776 0.76 ACACB (0.37) KDM4EALDH1A1TSHRACACBBRD4
SCHEMBL10079476 0.76 BRD4 (0.38) ATMKDM4ERAD52ALDH1A1BRD4
SCHEMBL10079777 0.74 ACACB (0.35) ATMACACB
SCHEMBL10079730 0.72 EHMT2 (0.30) KDM4E
SCHEMBL10079713 0.69

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 ATM 1870/4885KDM4E 1353/4885RAD52 1023/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD ATM 3868/4885KDM4E 756/4885RAD52 2317/4885

“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.