SCHEMBL1153528

SCHEMBL1153528

COc1cc(Cl)cc(C)c1C1C(=O)NC(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
MAP3K14 Q99558 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CES1 P23141 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
ERN1 O75460 1/20 0.31
AVPR2 P30518 1/20 0.30
AVPR1A P37288 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 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
SCHEMBL3640338 0.84 GSK3B (0.39) GSK3BCDK4CCND1CCNA2CDK2
SCHEMBL1153876 0.81 PDE7A (0.41) GSK3BCDK4CCND1CCNA2CDK2
SCHEMBL1814326 0.81 NPC1 (0.35) PDE3BPDE3AALDH1A1HTR1AHTR1D
SCHEMBL7000246 0.78 HSD11B1 (0.36) ALDH1A1AVPR1APOLB
SCHEMBL8648027 0.75 GRIN2D (0.35) ALDH1A1HTR7
SCHEMBL6839193 0.74 ALDH1A1 (0.38) ALDH1A1NR3C1PGR
SCHEMBL1153007 0.74 MAP3K14 (0.35) GSK3BCDK4CCND1CCNA2CDK2
SCHEMBL4427953 0.74 CRHBP (0.40) ALDH1A1POLB
SCHEMBL342154 0.73 HCRTR1 (0.36)
SCHEMBL6309426 0.72 ALDH1A1 (0.35) ALDH1A1NR3C1PGRHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 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 (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-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 GSK3B 138/4885CDK4 458/4885CCND1 781/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX GSK3B 201/4885CDK4 432/4885CCND1 777/4885

“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.