SCHEMBL2171555

SCHEMBL2171555

CCOC(=O)C(=O)C1C(=O)c2ccccc2OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
GLA P06280 3/20 0.45
CTDSP1 Q9GZU7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
BLM P54132 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GRM1 Q13255 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL4727314 0.85 LMNA (0.40) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL4728534 0.83 MAPT (0.36) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL4726624 0.83 ALDH1A1 (0.34) ALDH1A1MAPTGLAL3MBTL1KDM4E
SCHEMBL4726120 0.83 TDP2 (0.39) ALDH1A1MAPTL3MBTL1KDM4ECYP3A4
SCHEMBL4730195 0.83 ALPG (0.41) ALDH1A1MAPTL3MBTL1KDM4ETSHR
SCHEMBL4009794 0.83 RECQL (0.42) ALDH1A1MAPTGLACTDSP1L3MBTL1
SCHEMBL4728256 0.83 ALPG (0.41) ALDH1A1MAPTL3MBTL1KDM4ETSHR
SCHEMBL4726886 0.83 TDP2 (0.41) ALDH1A1MAPTL3MBTL1KDM4ETSHR
SCHEMBL4784487 0.82 ALDH1A1 (0.40) ALDH1A1MAPTGLAL3MBTL1KDM4E
SCHEMBL4730667 0.81 CNR2 (0.37) ALDH1A1MAPTL3MBTL1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 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 (1 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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 ALDH1A1 4184/4885MAPT 2044/4885GLA 4140/4885

“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.