Sugi Predict

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SCHEMBL2347378

SCHEMBL2347378

COCCC1CCCC2(C1)OC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1Cl)=C2O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 10/20 0.42
▸ ACACA Q13085 10/20 0.42
▸ EDNRA P25101 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ EDNRB P24530 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PSEN1 P49768 2/20 0.31
▸ PSEN2 P49810 2/20 0.31
▸ APH1B Q8WW43 2/20 0.31
▸ NCSTN Q92542 2/20 0.31
▸ APH1A Q96BI3 2/20 0.31
▸ PSENEN Q9NZ42 2/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ GHSR Q92847 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
SCHEMBL2350485 0.92 ACACB (0.51) ACACBACACAEDNRATHRBLMNA
SCHEMBL2350180 0.86 ACACB (0.41) ACACBACACAEDNRA
SCHEMBL2351544 0.82 ACACB (0.56) ACACBACACAEDNRAEDNRB
SCHEMBL2351936 0.78 ACACB (0.49) ACACBACACAEDNRATHRBLMNA
SCHEMBL9286913 0.77 ACACB (0.39) ACACBACACAEDNRAEDNRB
SCHEMBL16693101 0.75 ACACB (0.43) ACACBACACAALDH1A1RECQLTHRB
SCHEMBL2354167 0.74 ACACB (0.68) ACACBACACAEDNRAEDNRB
SCHEMBL2354468 0.72 ACACB (0.39) ACACBACACAEDNRATHRBLMNA
SCHEMBL12029737 0.72 THRB (0.34) ACACBACACATHRB
SCHEMBL2352686 0.72 ACACB (0.67) ACACBACACA

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 541/4885EDNRA 1109/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885EDNRA 938/4885

“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.