SCHEMBL1153007

SCHEMBL1153007

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
CCNA1 P78396 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KMT2A Q03164 3/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ERN1 O75460 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR5A P47898 1/20 0.31
ALDH1A1 P00352 3/20 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
SCHEMBL1813818 0.81 HTR2C (0.33) PDE3BPDE3AKMT2AHTR1AHTR1D
SCHEMBL4433341 0.76 GAA (0.40) KMT2AALDH1A1POLBKDM4EGAA
SCHEMBL1153528 0.74 GSK3B (0.37) MAP3K14CDK4CCNA2CCND1CDK2
SCHEMBL1153876 0.72 PDE7A (0.41) MAP3K14CDK4CCNA2CCND1CDK2
SCHEMBL14405336 0.69 KMT2A (0.36) MAP3K14CDK4CCNA2CCND1CDK2
SCHEMBL5929398 0.69 GAA (0.32) HTR2CGAA
SCHEMBL16592250 0.68 PARP15 (0.30)
SCHEMBL5771881 0.68 MAPT (0.33) KMT2AHTR1AHTR1DHTR2CHTR7
SCHEMBL12870932 0.66 MAP3K14 (0.32) MAP3K14ALDH1A1POLB
SCHEMBL12658141 0.66 CSNK2A2 (0.38) MAP3K14CDK4CCNA2CCND1CDK2

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 MAP3K14 920/4885CDK4 458/4885CCNA2 270/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX MAP3K14 990/4885CDK4 432/4885CCNA2 252/4885

“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.