SCHEMBL12658145

SCHEMBL12658145

COc1cc(Cl)cc(C)c1C1=C(O)C2(CCCCC2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.47
ACACA Q13085 11/20 0.47
PDE7A Q13946 3/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15489227 0.89 ACACB (0.46) ACACBACACAPDE7AKMT2A
SCHEMBL12858917 0.87 ACACB (0.49) ACACBACACAALDH1A1
SCHEMBL12022351 0.86 ACACB (0.57) ACACBACACA
SCHEMBL15489232 0.85 ACACB (0.43) ACACBACACAPDE7AKMT2A
SCHEMBL4442187 0.85 PDE7A (0.43) ACACBACACAPDE7AMEN1KMT2A
SCHEMBL24071184 0.82 ACACB (0.43) ACACBACACAALDH1A1
SCHEMBL12658142 0.81 ACACB (0.39) ACACBACACAALDH1A1
SCHEMBL12702912 0.81 PDE7A (0.35) ACACBACACAPDE7AMEN1KMT2A
SCHEMBL13070875 0.79 ACACB (0.37) ACACBACACAKMT2AALDH1A1SMN1; SMN2
SCHEMBL19838178 0.79 ACACB (0.53) ACACBACACAMEN1KMT2A

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 ACACB 1153/4885ACACA 1406/4885PDE7A 2098/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX ACACB 967/4885ACACA 1219/4885PDE7A 1812/4885

“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.