Sugi Predict

Sugi Predict / Compounds / SCHEMBL2351679

SCHEMBL2351679

SCHEMBL2351679

CC1(C)OC(=O)C(c2cc(-c3ccc(Cl)cc3)ccc2Cl)=C(O)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.40
▸ ACACA Q13085 6/20 0.40
▸ PGR P06401 4/20 0.39
▸ PTGS2 P35354 5/20 0.38
▸ PTGS1 P23219 2/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ BIRC5 O15392 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ MET P08581 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL2350676 0.89 ACACB (0.52) ACACBACACAPGRPTGS2CNR1
SCHEMBL14066575 0.81 PTGS2 (0.49) PTGS2CNR1CNR2GSK3B
SCHEMBL14066574 0.80 ACACB (0.38) ACACBACACAPGRPTGS2PTGS1
SCHEMBL14066722 0.79 ACACB (0.36) ACACBACACAPGRPTGS2PTGS1
SCHEMBL811925 0.76 PTGS2 (0.47) ACACBACACAPGRPTGS2PTGS1
SCHEMBL12128951 0.75 PGR (0.39) ACACBACACAPGRPTGS2CNR1
SCHEMBL2350099 0.75 ACACB (0.51) ACACBACACAPGRPTGS2PTGS1
SCHEMBL14066734 0.75 HTR6 (0.35) PTGS2PTGS1
SCHEMBL9286913 0.74 ACACB (0.39) ACACBACACAPTGS2CNR1EDNRB
SCHEMBL14587444 0.72 PGR (0.37) ACACBACACAPGRPTGS2CNR1

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 8 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

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 541/4885PGR 305/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885PGR 1372/4885

“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.