SCHEMBL5775976

SCHEMBL5775976

COc1cc(OC)cc(C2(C)CC(Nc3cc(Cl)cc(Cl)c3)C(=O)O2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
GSK3B P49841 2/20 0.32
GSK3A P49840 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ROCK2 O75116 2/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
RECQL P46063 1/20 0.32
GRIN2B Q13224 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
HTR6 P50406 4/20 0.31
STAT1 P42224 1/20 0.31
TP53 P04637 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
SCHEMBL5775724 0.89 GAA (0.41) GAATSHRGSK3BGSK3AMEN1
SCHEMBL5774061 0.89 GRIN2B (0.41) GSK3BGSK3ASTK10SLKGRIN2B
SCHEMBL5777138 0.81 HSD11B1 (0.39) GSK3BGRIN2BMEN1KMT2AHTR6
SCHEMBL5776589 0.81 TP53 (0.41) GAATSHRGSK3BGSK3AL3MBTL1
SCHEMBL5776176 0.80 DDB1 (0.36) TSHRGRIN2BMEN1KMT2A
SCHEMBL5777951 0.80 HTR6 (0.38) HTR6
SCHEMBL5774608 0.78 STK10 (0.39) GAAGSK3BGSK3ASTK10SLK
SCHEMBL5775190 0.78 GSK3B (0.35) GSK3BADAM17
SCHEMBL5777170 0.77 CHRNA1 (0.36) MEN1KMT2A
SCHEMBL5778733 0.75 HTR6 (0.31) ATML3MBTL1HTR6

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
EP-1406888-B1 SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2006-05-24 EP claimed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US claimed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 US claimed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
EP-1406888-B1 SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2006-05-24 EP disclosed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US disclosed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 US disclosed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 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-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRIN1, GRIN3A, GRIK5 GAA 771/4885TSHR 4135/4885GSK3B 1167/4885

“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.