SCHEMBL4546185

SCHEMBL4546185

COCC1(C)NC(=O)C(c2c(C)cc(-c3ccc(Cl)cc3)cc2C)=C1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.50
ACACA Q13085 12/20 0.50
RECQL P46063 1/20 0.33
ERN1 O75460 1/20 0.33
GSK3B P49841 3/20 0.32
GSK3A P49840 1/20 0.32
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL4546200 0.93 ACACB (0.46) ACACBACACARECQLERN1
SCHEMBL4546186 0.87 ACACB (0.42) ACACBACACARECQLGSK3BGSK3A
SCHEMBL4546196 0.85 ACACB (0.67) ACACBACACARECQLGSK3BGSK3A
SCHEMBL4549943 0.84 ACACB (0.43) ACACBACACARECQLERN1GSK3B
SCHEMBL4546190 0.84 ACACB (0.48) ACACBACACARECQL
SCHEMBL12136963 0.83 ACACB (0.39) ACACBACACA
SCHEMBL12136935 0.83 ACACB (0.35) ACACBACACA
SCHEMBL4546191 0.82 ACACB (0.41) ACACBACACA
SCHEMBL14345718 0.82 ACACB (0.55) ACACBACACARECQLGSK3BGSK3A
SCHEMBL10278965 0.81 ACACB (0.41) ACACBACACA

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 5 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-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
US-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols BAYER CROPSCIENCE AG (DE) 2009-12-03 US disclosed
WO-2007140881-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER CROPSCIENCE AG (DE) 2007-12-13 WO 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.