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SCHEMBL12658337

SCHEMBL12658337

CCOC(=O)OC1=C(c2c(CC)cc(Cl)cc2OC)C(=O)NC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.36
▸ GSK3B P49841 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CUL4A Q13619 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ RPS6KB1 P23443 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
SCHEMBL12658245 0.89 GSK3B (0.34) CNR2GSK3BCDK4CCND1GAA
SCHEMBL13698887 0.81 ACACB (0.40) CNR2GAATSHRHTTPOLB
SCHEMBL13960144 0.81 GSK3B (0.40) CNR2GSK3BCDK4CCND1GAA
SCHEMBL12214995 0.81 ACACB (0.38) CNR2GAATSHRHTTPOLB
SCHEMBL1900642 0.80 GSK3B (0.39) CNR2GSK3BCDK4CCND1KDM4E
SCHEMBL3674897 0.80 CYP1A2 (0.37) KDM4E
SCHEMBL811909 0.76 ACACB (0.38) GAAKDM4ELMNAALDH1A1POLB
SCHEMBL13071535 0.75 ALDH1A1 (0.36) CNR2LMNAALDH1A1
SCHEMBL14129263 0.75 ACACB (0.38) TSHR
SCHEMBL12658143 0.75 MAP3K14 (0.37) CNR2GSK3BCDK4CCND1L3MBTL1

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 7 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-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-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
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 CNR2 633/4885GSK3B 138/4885CDK4 458/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX CNR2 637/4885GSK3B 201/4885CDK4 432/4885

“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.