SCHEMBL5778216

SCHEMBL5778216

CCCCC1(c2ccccc2)CC(Nc2cc(Cl)cc(Cl)c2)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 3/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRL1 P41146 3/20 0.32
UTS2R Q9UKP6 2/20 0.32
PGR P06401 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NTSR1 P30989 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
SCHEMBL5778108 0.93 ICMT (0.36) ICMTALDH1A1TP53HTTLMNA
SCHEMBL5776933 0.89 PGR (0.36) ICMTALDH1A1TP53HTTLMNA
SCHEMBL5777138 0.78 HSD11B1 (0.39) ICMTALDH1A1TP53HTTLMNA
SCHEMBL5775977 0.76 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL5775152 0.76 ICMT (0.35) ICMTALDH1A1TP53HTTLMNA
SCHEMBL5776508 0.76 GRIN2B (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5775949 0.74 THRB (0.35) ALDH1A1TP53SMN1; SMN2KDM4EMEN1
SCHEMBL5777203 0.74 ALOX15 (0.34) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL6583729 0.74
SCHEMBL5776140 0.73 GSK3A (0.33) ALDH1A1SMN1; SMN2MEN1POLBKMT2A

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 ICMT 756/4885ALDH1A1 3532/4885TP53 3273/4885

“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.