SCHEMBL812007

SCHEMBL812007

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1C1=C(O)C(C)(C)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.40
PTGS2 P35354 5/20 0.39
ACACB O00763 5/20 0.37
ACACA Q13085 5/20 0.37
PTGS1 P23219 2/20 0.35
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EDNRA P25101 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL14066574 0.87 ACACB (0.38) PGRPTGS2ACACBACACAPTGS1
SCHEMBL2347055 0.87 PTGS2 (0.38) PGRPTGS2ACACBACACAPTGS1
SCHEMBL2350099 0.83 ACACB (0.51) PGRPTGS2ACACBACACAPTGS1
SCHEMBL14066722 0.81 ACACB (0.36) PGRPTGS2ACACBACACAPTGS1
SCHEMBL811925 0.78 PTGS2 (0.47) PGRPTGS2ACACBACACAPTGS1
SCHEMBL13527158 0.78 CYP19A1 (0.31)
SCHEMBL812037 0.78 PGR (0.34) PGRPTGS2ACACBACACAPTGS1
SCHEMBL9290061 0.76 ACACB (0.37) PTGS2ACACBACACAEDNRA
SCHEMBL811977 0.76 ACACB (0.44) ACACBACACAEDNRA
SCHEMBL12702996 0.76 ERN1 (0.36) PTGS2ACACBACACAALDH1A1GAA

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
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 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-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 PGR 1538/4885PTGS2 1388/4885ACACB 971/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 PGR 1538/4885PTGS2 1388/4885ACACB 971/4885

“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.