SCHEMBL2350979

SCHEMBL2350979

COCCO[C@@H]1CCC[C@]2(C1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1Cl)=C2O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.55
ACACA Q13085 13/20 0.55
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
BACE1 P56817 1/20 0.32
TACR2 P21452 1/20 0.31
CNR1 P21554 1/20 0.31
OPRM1 P35372 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
SCHEMBL2352686 0.85 ACACB (0.67) ACACBACACACNR1
SCHEMBL14700724 0.80 ACACB (0.71) ACACBACACABACE1
SCHEMBL2354375 0.80 ACACB (0.71) ACACBACACABACE1
SCHEMBL2353412 0.80 ACACB (0.71) ACACBACACABACE1
SCHEMBL2355612 0.79 ACACB (0.66) ACACBACACA
SCHEMBL2347074 0.79 ACACB (0.84) ACACBACACACNR1
SCHEMBL2349986 0.79 ACACB (0.63) ACACBACACA
SCHEMBL8280687 0.79 ACACB (0.63) ACACBACACA
SCHEMBL2353401 0.78 ACACB (0.59) ACACBACACA
SCHEMBL2351074 0.77 ACACB (0.80) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US claimed
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-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
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
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
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 541/4885KDM4E 177/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885KDM4E 242/4885

“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.