SCHEMBL811925

SCHEMBL811925

CC1(C)OC(=O)C(c2ccc(-c3ccc(Cl)cc3)cc2Cl)=C1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
PGR P06401 6/20 0.43
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
PTGS1 P23219 3/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
TDP2 O95551 1/20 0.37
ALOX5 P09917 1/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL2350099 0.85 ACACB (0.51) PTGS2PGRPTGS1ACACBACACA
SCHEMBL28606507 0.82 PTGS2 (0.49) PTGS2PGRPTGS1
SCHEMBL812007 0.78 PGR (0.40) PTGS2PGRPTGS1ACACBACACA
SCHEMBL811880 0.77 ESR2 (0.41) PTGS2PGRTDP2ALOX5
SCHEMBL2351679 0.76 ACACB (0.40) PTGS2PGRCNR1CNR2PTGS1
SCHEMBL14066575 0.75 PTGS2 (0.49) PTGS2CNR1CNR2
SCHEMBL2347055 0.74 PTGS2 (0.38) PTGS2PGRPTGS1ACACBACACA
SCHEMBL12101875 0.73 PGR (0.36) PTGS2PGRACACBACACANR3C1
SCHEMBL2350676 0.73 ACACB (0.52) PTGS2PGRCNR1CNR2ACACB
SCHEMBL12128951 0.72 PGR (0.39) PTGS2PGRCNR1CNR2ACACB

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 10 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-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 PTGS2 1388/4885PGR 1538/4885CNR1 380/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 PTGS2 1388/4885PGR 1538/4885CNR1 380/4885

“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.