SCHEMBL2349899

SCHEMBL2349899

CO[C@H]1CC[C@@]2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3F)ccc1C)=C2O

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.77
ACACA Q13085 13/20 0.77
BACE1 P56817 2/20 0.35
APP P05067 1/20 0.35
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL14689905 1.00 ACACB (0.77) ACACBACACABACE1APPAKR1B10
SCHEMBL14700747 1.00 ACACB (0.77) ACACBACACABACE1APPAKR1B10
SCHEMBL2348234 0.91 ACACB (0.74) ACACBACACA
SCHEMBL14700752 0.91 ACACB (0.74) ACACBACACA
SCHEMBL14689885 0.91 ACACB (0.74) ACACBACACA
SCHEMBL6114014 0.89 ACACB (0.86) ACACBACACABACE1
SCHEMBL8280694 0.89 ACACB (0.86) ACACBACACABACE1
SCHEMBL6114010 0.89 ACACB (0.86) ACACBACACABACE1
SCHEMBL8280551 0.89 ACACB (0.79) ACACBACACABACE1APP
SCHEMBL13884584 0.89 ACACB (0.79) ACACBACACABACE1APP

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 541/4885BACE1 3453/4885

“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.