SCHEMBL2355378

SCHEMBL2355378

CO[C@H]1CC[C@@]2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)c(Cl)cc1C)=C2O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 13/20 0.68
▸ ACACA Q13085 13/20 0.68
▸ CNR1 P21554 3/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ PRKAB2 O43741 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAG3 Q9UGI9 1/20 0.32
▸ PRKAG2 Q9UGJ0 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ BACE1 P56817 2/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 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
SCHEMBL14700699 1.00 ACACB (0.68) ACACBACACACNR1CNR2PRKAB2
SCHEMBL14689341 1.00 ACACB (0.68) ACACBACACACNR1CNR2PRKAB2
SCHEMBL2355326 0.94 ACACB (0.67) ACACBACACABACE1
SCHEMBL14700743 0.94 ACACB (0.67) ACACBACACABACE1
SCHEMBL2355305 0.94 ACACB (0.67) ACACBACACABACE1
SCHEMBL14690367 0.90 ACACB (0.71) ACACBACACABACE1
SCHEMBL2351636 0.90 ACACB (0.71) ACACBACACABACE1
SCHEMBL12457633 0.90 ACACB (0.71) ACACBACACABACE1
SCHEMBL14689246 0.89 ACACB (0.83) ACACBACACAPRKAB2PRKAG1PRKAA2
SCHEMBL2351848 0.89 ACACB (0.83) ACACBACACAPRKAB2PRKAG1PRKAA2

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 6 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 claimed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 — — EP claimed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 — — WO claimed
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 541/4885CNR1 783/4885

“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.

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