SCHEMBL2363323

SCHEMBL2363323

Cc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)N(C)OC(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
ACACB O00763 4/20 0.33
ACACA Q13085 4/20 0.33
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
NOTUM Q6P988 1/20 0.30
AOC3 Q16853 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
SCHEMBL5655999 0.89 PGR (0.38) PGRKDM4EALDH1A1GAANOTUM
SCHEMBL1550368 0.84 PGR (0.42) PGRACACBACACAMAPTALDH1A1
SCHEMBL5657600 0.78 SLC9A1 (0.38) MAPTKDM4EALDH1A1GAA
SCHEMBL2362821 0.77 KDM4E (0.36) ACACBACACAKDM4EALDH1A1GAA
SCHEMBL1550846 0.77 PGR (0.38) PGRACACBACACAMAPT
SCHEMBL5657030 0.75 CES1 (0.30)
SCHEMBL27698252 0.72 PGR (0.39) PGRACACBACACANOTUM
SCHEMBL3036687 0.72 PGR (0.43) PGRMAPTKDM4EALDH1A1GAA
SCHEMBL11025445 0.72 ACACB (0.38) PGRACACBACACAMAPTKDM4E
SCHEMBL2362432 0.72 ACACB (0.34) PGRACACBACACAMAPT

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-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
US-7183238-B2 [1,2]-oxazine-3,5-diones BAYER CROPSCIENCE AG (DE) 2007-02-27 US disclosed
US-20050070707-A1 microbicides, pesticides and herbicides BAYER CROPSCIENCE AG (DE) 2005-03-31 US 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 (3 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 PGR 305/4885ACACB 310/4885ACACA 541/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 PGR 1372/4885ACACB 85/4885ACACA 90/4885
US-20050070707-A1 microbicides, pesticides and herbicides DDT, CX3CR1, MSR1 PGR 4047/4885ACACB 1887/4885ACACA 2687/4885

“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.