SCHEMBL4453947

SCHEMBL4453947

COc1cc(C)cc(Cl)c1C1=C(O)C2(CCOCC2)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.41
ACACA Q13085 11/20 0.41
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 1/20 0.33
LPAR1 Q92633 1/20 0.32
STK10 O94804 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
SLK Q9H2G2 1/20 0.32
POLB P06746 1/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL4442187 0.89 PDE7A (0.43) ACACBACACAPDE7A
SCHEMBL4444182 0.82 TSHR (0.35) TSHR
SCHEMBL10230210 0.80 SLK (0.36) ACACBACACAMAOBSTK10GSK3A
SCHEMBL164823 0.78 ACACB (0.44) ACACBACACA
SCHEMBL24071184 0.77 ACACB (0.43) ACACBACACA
SCHEMBL4439032 0.76 ACACB (0.35) ACACBACACASTK10GSK3AGSK3B
SCHEMBL13070875 0.74 ACACB (0.37) ACACBACACALMNA
SCHEMBL1082456 0.74 ACACB (0.38) ACACBACACA
SCHEMBL22459133 0.74 ACACB (0.33) ACACBACACA
SCHEMBL12658145 0.74 ACACB (0.47) ACACBACACAPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732930-B1 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2012-05-02 EP disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 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 (3 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-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E ACACB 784/4885ACACA 1055/4885LMNA 3612/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E ACACB 784/4885ACACA 1055/4885LMNA 3612/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 ACACB 635/4885ACACA 879/4885LMNA 3605/4885

“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.