SCHEMBL2352686

SCHEMBL2352686

COCC1CCCC2(C1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1Cl)=C2O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.67
ACACA Q13085 13/20 0.67
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CNR1 P21554 1/20 0.31
TP53 P04637 1/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MST1R Q04912 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 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
SCHEMBL2351074 0.92 ACACB (0.80) ACACBACACATP53JAK2NTRK1
SCHEMBL2347074 0.89 ACACB (0.84) ACACBACACASLC6A2SLC6A4SLC6A3
SCHEMBL2350979 0.85 ACACB (0.55) ACACBACACACNR1
SCHEMBL2355612 0.81 ACACB (0.66) ACACBACACAJAK2NTRK1MET
SCHEMBL12458444 0.80 ACACB (1.00) ACACBACACATP53JAK2NTRK1
SCHEMBL14689551 0.80 ACACB (1.00) ACACBACACATP53JAK2NTRK1
SCHEMBL2349261 0.80 ACACB (1.00) ACACBACACATP53JAK2NTRK1
SCHEMBL2353401 0.80 ACACB (0.59) ACACBACACAJAK2NTRK1MET
SCHEMBL2353412 0.80 ACACB (0.71) ACACBACACASLC6A4SLC6A3JAK2
SCHEMBL2354375 0.80 ACACB (0.71) ACACBACACASLC6A4SLC6A3JAK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US claimed
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 541/4885SLC6A2 4764/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885SLC6A2 4755/4885

“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.