SCHEMBL2353429

SCHEMBL2353429

CO[C@H]1CC[C@@]2(CC1)NC(=O)C(c1cc(-c3ccc(F)c(F)c3)ccc1C)=C2O

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.84
ACACA Q13085 13/20 0.84
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
BACE1 P56817 3/20 0.33
GRIN2B Q13224 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
SCHEMBL14161224 1.00 ACACB (0.84) ACACBACACADAPK3NTRK1PIM1
SCHEMBL14689966 1.00 ACACB (0.84) ACACBACACADAPK3NTRK1PIM1
SCHEMBL11902895 0.91 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL11903063 0.91 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL14700725 0.91 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL6114010 0.91 ACACB (0.86) ACACBACACABACE1
SCHEMBL8280694 0.91 ACACB (0.86) ACACBACACABACE1
SCHEMBL6114014 0.91 ACACB (0.86) ACACBACACABACE1
SCHEMBL12456944 0.91 ACACB (0.70) ACACBACACABACE1
SCHEMBL14689646 0.91 ACACB (0.70) ACACBACACABACE1

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 3 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
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

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 541/4885DAPK3 1961/4885

“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.