SCHEMBL7518686

SCHEMBL7518686

CCCC[C@H](CC)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.50
PRKCD Q05655 1/20 0.50
CTSK P43235 1/20 0.46
CA2 P00918 5/20 0.44
CA1 P00915 3/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GLS2 Q9UI32 3/20 0.41
EPHX2 P34913 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL125718 1.00 PRKCA (0.50) PRKCAPRKCDCTSKCA2CA1
SCHEMBL7520665 1.00 PRKCA (0.50) PRKCAPRKCDCTSKCA2CA1
SCHEMBL112743 0.94 PRKCA (0.47) PRKCAPRKCDCTSKCA1ALDH1A1
SCHEMBL19971880 0.92 PRKCA (0.50) PRKCAPRKCDMAPK1GLS2
SCHEMBL22471650 0.92 PRKCA (0.50) PRKCAPRKCDMAPK1GLS2
SCHEMBL23930714 0.92 PRKCA (0.50) PRKCAPRKCDMAPK1GLS2
SCHEMBL2486538 0.92 PRKCA (0.50) PRKCAPRKCDMAPK1GLS2
SCHEMBL227644 0.92 PRKCA (0.50) PRKCAPRKCDMAPK1GLS2
SCHEMBL276887 0.92 PRKCA (0.50) PRKCAPRKCDMAPK1GLS2
SCHEMBL31626952 0.92 PRKCA (0.50) PRKCAPRKCDMAPK1GLS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163938-B2 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2012-04-24 US disclosed
US-20110004006-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2011-01-06 US disclosed
US-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components RHODIA CHIREX, INC. 2002-08-29 US disclosed
WO-2002057227-A2 PROCESS OF ENANTIOMERICALLY ENRICHED FLAVOR AND FRAGRANCE COMPONENTS RHODIA/CHIREX, INC. (US) 2002-07-25 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-20110004006-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF KCNH2, KCNC1, KCNH3 PRKCA 1334/4885PRKCD 701/4885CTSK 2513/4885
US-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components NISCH, FASTKD5, NOTUM PRKCA 3025/4885PRKCD 2525/4885CTSK 4593/4885

“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.