SCHEMBL8280694

SCHEMBL8280694

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

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.86
ACACA Q13085 13/20 0.86
BACE1 P56817 2/20 0.42
PGR P06401 3/20 0.39
TDP2 O95551 1/20 0.38
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35

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
SCHEMBL6114014 1.00 ACACB (0.86) ACACBACACABACE1PGRTDP2
SCHEMBL6114010 1.00 ACACB (0.86) ACACBACACABACE1PGRTDP2
SCHEMBL11903063 0.93 ACACB (1.00) ACACBACACABACE1
SCHEMBL14700725 0.93 ACACB (1.00) ACACBACACABACE1
SCHEMBL11902895 0.93 ACACB (1.00) ACACBACACABACE1
SCHEMBL2353429 0.91 ACACB (0.84) ACACBACACABACE1
SCHEMBL14689966 0.91 ACACB (0.84) ACACBACACABACE1
SCHEMBL6113891 0.91 ACACB (0.84) ACACBACACA
SCHEMBL14161224 0.91 ACACB (0.84) ACACBACACABACE1
SCHEMBL8280551 0.90 ACACB (0.79) ACACBACACABACE1TDP2

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
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 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 (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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885BACE1 3453/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885BACE1 3418/4885

“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.