SCHEMBL2354498

SCHEMBL2354498

Cc1ccc(-c2ccc(Cl)cc2)c(C)c1C1=C(O)C2(CCCC2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ACACB O00763 5/20 0.35
ACACA Q13085 5/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32

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
SCHEMBL2349292 0.99 THRB (0.40) THRBLMNAALDH1A1ACACBACACA
SCHEMBL6113509 0.88 CNR1 (0.32) THRBLMNAACACBACACACNR1
SCHEMBL6113508 0.88 CNR1 (0.32) THRBLMNAACACBACACACNR1
SCHEMBL782414 0.87 ACACB (0.36) ACACBACACACNR1MAPTPTGS2
SCHEMBL2353319 0.87 ACACB (0.42) ACACBACACAPTGS2
SCHEMBL2352764 0.85 THRB (0.39) THRBLMNAALDH1A1ACACBACACA
SCHEMBL2351911 0.84 ACACB (0.51) ACACBACACACNR1
SCHEMBL2351941 0.84 THRB (0.40) THRBLMNAALDH1A1ACACBACACA
SCHEMBL2349288 0.84 THRB (0.40) THRBLMNAALDH1A1ACACBACACA
SCHEMBL13548098 0.83 THRB (0.41) THRBLMNAALDH1A1ACACBACACA

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 THRB 1069/4885LMNA 1557/4885ALDH1A1 723/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 THRB 637/4885LMNA 1395/4885ALDH1A1 766/4885

“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.