SCHEMBL2351941

SCHEMBL2351941

Cc1cc(C)c(-c2ccc(Cl)cc2)c(C)c1C1=C(O)C2(CCCCC2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.35
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 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
SCHEMBL2349288 1.00 THRB (0.40) THRBLMNAALDH1A1MAPTACACB
SCHEMBL2352764 0.99 THRB (0.39) THRBLMNAALDH1A1MAPTACACB
SCHEMBL6113600 0.87 CNR1 (0.31) THRBLMNAALDH1A1ACACBACACA
SCHEMBL6113601 0.87 CNR1 (0.31) THRBLMNAALDH1A1ACACBACACA
SCHEMBL8280832 0.87 CNR1 (0.31) THRBLMNAALDH1A1ACACBACACA
SCHEMBL2349292 0.85 THRB (0.40) THRBLMNAALDH1A1MAPTACACB
SCHEMBL2355518 0.85 ACACB (0.35) THRBLMNAACACBACACAPTGS2
SCHEMBL2354498 0.84 THRB (0.38) THRBLMNAALDH1A1MAPTACACB
SCHEMBL2353015 0.83 THRB (0.41) THRBLMNAALDH1A1ACACBACACA
SCHEMBL2347055 0.82 PTGS2 (0.38) LMNAALDH1A1MAPTACACBACACA

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.