SCHEMBL812254

SCHEMBL812254

COC1CCC2(CC1)OC(=O)C(c1c(C)cc(Br)cc1C)=C2O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
APP P05067 1/20 0.33
MAOA P21397 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL11989359 0.90 ACACB (0.35) BACE1ACACBACACAMAPTTSHR
SCHEMBL782459 0.83
SCHEMBL11989367 0.83 MAPT (0.35) ACACBACACAMAPTTSHR
SCHEMBL811977 0.82 ACACB (0.44) BACE1ACACBACACAAPP
SCHEMBL13548020 0.81 ACACB (0.37) BACE1ACACBACACAAPPMAOA
SCHEMBL27374303 0.80 TSHR (0.33) MAOAMAPTTSHR
SCHEMBL12128190 0.79 ACACB (0.43) BACE1ACACBACACAAPPMAOA
SCHEMBL11989368 0.79 ALDH1A1 (0.40) ACACBACACAMAPTTSHR
SCHEMBL13548006 0.79 ACACB (0.41) ACACBACACAMAOAMAPT
SCHEMBL12214979 0.78 ACACB (0.36) ACACBACACAMAOAMAPT

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 BACE1 3902/4885ACACB 971/4885ACACA 1353/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 BACE1 3902/4885ACACB 971/4885ACACA 1353/4885

“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.