SCHEMBL5774085

SCHEMBL5774085

CC1(c2ccccc2)CC(Nc2ccc(Oc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
EZH2 Q15910 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PGR P06401 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
AKR1C3 P42330 1/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GFER P55789 2/20 0.36
UTS2R Q9UKP6 1/20 0.35
MMP1 P03956 1/20 0.35
ADAM17 P78536 1/20 0.35
DDB1 Q16531 1/20 0.35

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
SCHEMBL5775777 0.85 DDB1 (0.37) MMP2MMP9GAATSHRALDH1A1
SCHEMBL5777842 0.81 TNKS (0.41) PGRALDH1A1MAPTGFERDDB1
SCHEMBL5777138 0.79 HSD11B1 (0.39) ALDH1A1MAPTDDB1CRBNHTT
SCHEMBL6152577 0.78 MMP2 (0.36) MMP2MMP3MMP9MMP8MMP13
SCHEMBL6153174 0.78 KDM4E (0.47) MMP2MMP3MMP9MMP8MMP13
SCHEMBL6152742 0.78 MMP2 (0.36) MMP2MMP3MMP9MMP8MMP13
SCHEMBL5773915 0.77 HSD11B1 (0.43) PGRALDH1A1SMN1; SMN2GFERDDB1
SCHEMBL6153106 0.75 EZH2 (0.41) MMP2MMP3MMP9MMP13EZH2
SCHEMBL5775507 0.74 HSD11B1 (0.38) PGRALDH1A1MEN1PKMKMT2A
SCHEMBL5778573 0.72 ALDH1A1 (0.34) GAATSHRPGREPHX2ALDH1A1

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 MMP2 4343/4885MMP3 4552/4885MMP9 4536/4885

“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.