SCHEMBL10079488

SCHEMBL10079488

Cc1ccc(C)c(C2=C(O)CC3(CCSCC3)CC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 5/20 0.34
ATM Q13315 3/20 0.33
HTT P42858 2/20 0.33
WEE1 P30291 1/20 0.32
RAD52 P43351 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL10079476 0.85 BRD4 (0.38) BRD4KDM4EATMHTTWEE1
SCHEMBL10079477 0.81 ACACB (0.43) BRD4KDM4EATMHTTWEE1
SCHEMBL10079445 0.80 TSHR (0.34)
SCHEMBL15107412 0.76 ACACB (0.38)
SCHEMBL12056653 0.74
SCHEMBL6113605 0.71 ACACB (0.47) BRD4CNR1CNR2HTR1AADRA1B
SCHEMBL10079523 0.69 HDAC2 (0.39)
SCHEMBL10079442 0.69 ACACB (0.45)
SCHEMBL13263788 0.69 TSHR (0.33)
SCHEMBL10079502 0.68 LMNA (0.36) BRD4KDM4EATMMEN1ALDH1A1

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 BRD4 4152/4885KDM4E 1353/4885ATM 1870/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD BRD4 1416/4885KDM4E 756/4885ATM 3868/4885

“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.