SCHEMBL4439032

SCHEMBL4439032

COc1cc(C)cc(Cl)c1C1=C(O)C(C)(C2CC2)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.35
ACACA Q13085 8/20 0.35
STK10 O94804 2/20 0.32
GSK3B P49841 2/20 0.32
SLK Q9H2G2 2/20 0.32
GSK3A P49840 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
ADAM17 P78536 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
SCHEMBL13070828 0.85 KMT2A (0.33) ACACBACACAGSK3B
SCHEMBL10230210 0.83 SLK (0.36) ACACBACACASTK10GSK3BSLK
SCHEMBL10267542 0.83 HCRTR1 (0.33) ACACBACACA
SCHEMBL1901580 0.81 GSK3B (0.35) ACACBACACAGSK3BGSK3AADAM17
SCHEMBL4442187 0.78 PDE7A (0.43) ACACBACACA
SCHEMBL4453947 0.76 ACACB (0.41) ACACBACACASTK10GSK3BSLK
SCHEMBL13698883 0.75 L3MBTL1 (0.31)
SCHEMBL10212020 0.73 HCRTR1 (0.34)
SCHEMBL13168029 0.73 KMT2A (0.32)
SCHEMBL14432174 0.73 ACACB (0.35) ACACBACACA

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
EP-1732930-B1 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2012-05-02 EP disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US 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 (3 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-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E ACACB 784/4885ACACA 1055/4885STK10 2674/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E ACACB 784/4885ACACA 1055/4885STK10 2674/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 ACACB 635/4885ACACA 879/4885STK10 3325/4885

“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.