SCHEMBL10079443

SCHEMBL10079443

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
MAP4K4 O95819 1/20 0.35
ACACB O00763 5/20 0.34
ACACA Q13085 5/20 0.34
ARF6 P62330 1/20 0.31
HSD17B1 P14061 1/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MST1R Q04912 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
CAMK1D Q8IU85 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
SCHEMBL13263793 0.89 HDAC2 (0.32) HSD17B1TDP2HDAC1HDAC2
SCHEMBL10079442 0.87 ACACB (0.45) CYP11B2MAP4K4ACACBACACAJAK2
SCHEMBL10195119 0.87 MMP1 (0.36) CYP11B2
SCHEMBL10195052 0.82 ESR1 (0.32)
SCHEMBL11940680 0.82 ALDH1A1 (0.44) ACACBACACATP53MAPTPGR
SCHEMBL10195322 0.81 HTR2A (0.38)
SCHEMBL15107417 0.81 PGR (0.35) CYP11B2ACACBACACAPGR
SCHEMBL10195168 0.79 SLC6A4 (0.38) CYP11B2
SCHEMBL10195460 0.79 CYP11B2 (0.33) CYP11B2
SCHEMBL12128961 0.78 JAK2 (0.35) ACACBACACAHSD17B1JAK2NTRK1

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 CYP11B2 465/4885MAP4K4 3908/4885ACACB 1253/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD CYP11B2 1698/4885MAP4K4 2891/4885ACACB 795/4885

“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.