SCHEMBL12458482

SCHEMBL12458482

CO[C@]1(C)CC[C@]2(CC1)NC(=O)C(c1c(C)ccc(-c3ccc(Cl)cc3)c1C)=C2O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.72
ACACA Q13085 12/20 0.72
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
RECQL P46063 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
SCHEMBL6113829 1.00 ACACB (0.72) ACACBACACACA12CA9RECQL
SCHEMBL2349857 1.00 ACACB (0.72) ACACBACACACA12CA9RECQL
SCHEMBL8280772 0.93 ACACB (0.61) ACACBACACA
SCHEMBL6113639 0.87 ACACB (0.61) ACACBACACACA12CA9
SCHEMBL2347653 0.87 ACACB (0.61) ACACBACACACA12CA9
SCHEMBL12478546 0.87 ACACB (0.53) ACACBACACACA12CA9
SCHEMBL6113445 0.86 ACACB (0.52) ACACBACACACA12CA9
SCHEMBL14689732 0.85 ACACB (0.60) ACACBACACA
SCHEMBL14700726 0.85 ACACB (0.60) ACACBACACA
SCHEMBL2354378 0.85 ACACB (0.60) ACACBACACA

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
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US 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 541/4885CA12 1546/4885

“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.