SCHEMBL2350676

SCHEMBL2350676

Cc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)C(C)(C)C(C)(C)OC1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.52
ACACA Q13085 12/20 0.52
PGR P06401 1/20 0.38
PTGS2 P35354 3/20 0.37
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX5 P09917 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL2351679 0.89 ACACB (0.40) ACACBACACAPGRPTGS2EDNRB
SCHEMBL2350099 0.87 ACACB (0.51) ACACBACACAPGRPTGS2EDNRB
SCHEMBL14066574 0.84 ACACB (0.38) ACACBACACAPGRPTGS2EDNRA
SCHEMBL2352301 0.82 ACACB (0.52) ACACBACACAPGRPTGS2EDNRB
SCHEMBL2350565 0.81 ACACB (0.47) ACACBACACAPGRPTGS2EDNRB
SCHEMBL14066722 0.81 ACACB (0.36) ACACBACACAPGRPTGS2EDNRA
SCHEMBL2356692 0.80 ACACB (0.49) ACACBACACACNR1CNR2
SCHEMBL2349821 0.80 ACACB (0.49) ACACBACACACNR1CNR2
SCHEMBL14066724 0.79 MALT1 (0.36) ACACBACACAPTGS2CA9
SCHEMBL2361957 0.79 ACACB (0.48) ACACBACACAPGR

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 17 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-8247351-B2 Insecticidal compositions having improved effect BAYER CROPSCIENCE AG (DE) 2012-08-21 US disclosed
US-8247351-B2 Insecticidal compositions having improved effect BAYER CROPSCIENCE AG (DE) 2012-08-21 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
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20110294783-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
US-20110294783-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2011-12-01 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
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives BAYER CROPSCIENCE AG (DE) 2008-01-31 US disclosed
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives BAYER CROPSCIENCE AG (DE) 2008-01-31 US 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 (5 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 541/4885PGR 305/4885
US-20110294783-A1 Insecticidal Compositions Having Improved Effect FASN, CYP51A1, PIKFYVE ACACB 58/4885ACACA 41/4885PGR 3045/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885PGR 1372/4885
US-20090209513-A1 Insecticidal Compositions Having Improved Effect PTEN, PIK3CG, PIK3CD ACACB 632/4885ACACA 382/4885PGR 2614/4885
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives DDT, CYP1A1, CYP1B1 ACACB 1802/4885ACACA 2203/4885PGR 2143/4885

“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.