SCHEMBL2351645

SCHEMBL2351645

Cc1cc(C)c(-c2ccc(Cl)cc2)cc1C1=C(O)C2(CCSCC2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.42
CNR2 P34972 7/20 0.42
ACACB O00763 5/20 0.37
ACACA Q13085 5/20 0.37
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PTGS2 P35354 1/20 0.32
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13548031 0.97 CNR1 (0.40) CNR1CNR2ACACBACACACA12
SCHEMBL2353015 0.89 THRB (0.41) CNR1CNR2ACACBACACACA12
SCHEMBL2363330 0.88 ACACB (0.37) CNR1CNR2ACACBACACACA12
SCHEMBL13548043 0.85 THRB (0.42) CNR1CNR2ACACBACACACA12
SCHEMBL13548038 0.85 THRB (0.42) CNR1CNR2ACACBACACACA12
SCHEMBL13548034 0.84 ACACB (0.40) CNR1CNR2ACACBACACAPTGS2
SCHEMBL13548029 0.84 ACACB (0.38) CNR1CNR2ACACBACACACA12
SCHEMBL13548037 0.84 ACACB (0.38) CNR1CNR2ACACBACACACA12
SCHEMBL2353778 0.83 ACACB (0.44) CNR1CNR2ACACBACACAPTGS2
SCHEMBL8280831 0.82 CNR1 (0.37) CNR1CNR2ACACBACACACA12

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 9 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-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 CNR1 783/4885CNR2 778/4885ACACB 310/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 CNR1 636/4885CNR2 606/4885ACACB 85/4885

“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.