SCHEMBL2353965

SCHEMBL2353965

Cc1cc(C)c(-c2ccc(Cl)cc2)cc1C1=C(O)C2(CCCCC2)SC1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.40
ACACA Q13085 10/20 0.40
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MAP4K4 O95819 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
SCHEMBL2353457 0.88 ACACB (0.52) ACACBACACAMAP4K4
SCHEMBL2350066 0.83 ACACB (0.35) ACACBACACACNR1CNR2ALDH1A1
SCHEMBL812209 0.82 ACACB (0.39) ACACBACACAALDH1A1
SCHEMBL2352633 0.78 CNR1 (0.39) ACACBACACACNR1CNR2ALDH1A1
SCHEMBL2353015 0.77 THRB (0.41) ACACBACACACNR1CNR2ALDH1A1
SCHEMBL2348721 0.74 ACACB (0.55) ACACBACACA
SCHEMBL13548038 0.73 THRB (0.42) ACACBACACACNR1CNR2ALDH1A1
SCHEMBL13548043 0.73 THRB (0.42) ACACBACACACNR1CNR2ALDH1A1
SCHEMBL2350119 0.72 ACACB (0.42) ACACBACACACNR1CNR2CA12
SCHEMBL2351645 0.70 CNR1 (0.42) ACACBACACACNR1CNR2ALDH1A1

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 ACACB 310/4885ACACA 541/4885CNR1 783/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885CNR1 636/4885

“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.