SCHEMBL4546186

SCHEMBL4546186

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1C1=C(O)C(C)(CCO)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.42
ACACA Q13085 10/20 0.42
RECQL P46063 1/20 0.34
GSK3B P49841 4/20 0.32
GSK3A P49840 1/20 0.32
WEE1 P30291 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.31
ADAM17 P78536 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
PGR P06401 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
SCHEMBL4546184 0.88 ACACB (0.39) ACACBACACARECQLGSK3BGSK3A
SCHEMBL4546185 0.87 ACACB (0.50) ACACBACACARECQLGSK3BGSK3A
SCHEMBL4549943 0.83 ACACB (0.43) ACACBACACARECQLGSK3BGSK3A
SCHEMBL4546183 0.81 ACACB (0.47) ACACBACACARECQLGSK3BGSK3A
SCHEMBL4546200 0.81 ACACB (0.46) ACACBACACARECQL
SCHEMBL4546182 0.80 ACACB (0.35) ACACBACACA
SCHEMBL4546194 0.78 ACACB (0.40) ACACBACACARECQL
SCHEMBL811962 0.75 ACACB (0.55) ACACBACACA
SCHEMBL4549929 0.74 ACACB (0.43) ACACBACACARECQL
SCHEMBL15472969 0.74 ACACB (0.56) ACACBACACARECQLGSK3BGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173697-B2 Alkoxyalkyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2012-05-08 US disclosed
US-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols BAYER CROPSCIENCE AG (DE) 2009-12-03 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 (1 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-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols DDT, AKR1D1, EBP ACACB 249/4885ACACA 529/4885RECQL 2752/4885

“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.