SCHEMBL2348680

SCHEMBL2348680

CCOC1CCC2(CC1)NC(=O)C(c1cc(Br)ccc1C)=C2O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.53
ACACA Q13085 13/20 0.53
APP P05067 1/20 0.37
BACE1 P56817 1/20 0.37
TDP2 O95551 1/20 0.36
FPR2 P25090 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
BIRC5 O15392 1/20 0.31

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
SCHEMBL2347445 0.88 ACACB (0.66) ACACBACACABACE1
SCHEMBL14689355 0.88 ACACB (0.66) ACACBACACABACE1
SCHEMBL14700666 0.88 ACACB (0.66) ACACBACACABACE1
SCHEMBL14689611 0.85 ACACB (0.53) ACACBACACAFPR2BIRC5
SCHEMBL12458437 0.85 ACACB (0.53) ACACBACACAFPR2BIRC5
SCHEMBL14689609 0.85 ACACB (0.53) ACACBACACAFPR2BIRC5
SCHEMBL2354188 0.84 ACACB (0.73) ACACBACACAAPPBACE1TDP2
SCHEMBL12458501 0.84 ACACB (0.73) ACACBACACAAPPBACE1TDP2
SCHEMBL2349855 0.84 ACACB (0.73) ACACBACACAAPPBACE1TDP2
SCHEMBL13039874 0.84 ACACB (0.42) ACACBACACAAPPBACE1FPR2

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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885APP 3430/4885

“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.