SCHEMBL4852945

SCHEMBL4852945

CCCCCCCCCCCCC(O)COc1cccc([I+]c2ccccc2)c1.CCCCCCCCCCCCC(O)COc1cccc([I+]c2ccccc2)c1.CCCCCCCCCCCCC(O)COc1cccc([I+]c2ccccc2)c1.CCCCCCCCCCCCC(O)COc1cccc([I+]c2ccccc2)c1.CCCCCCCCCCCCC(O)COc1cccc([I+]c2ccccc2)c1.CCCCCCCCCCCCC(O)COc1cccc([I+]c2ccccc2)c1.O=[SbH]([O-])F.O=[SbH]([O-])F.O=[SbH]([O-])F.O=[SbH]([O-])F.O=[SbH]([O-])F.O=[SbH]([O-])F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.38
SLC2A1 P11166 1/20 0.38
S1PR1 P21453 1/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
TBXA2R P21731 2/20 0.36
PTGER1 P34995 2/20 0.36
PTGFR P43088 2/20 0.36
PTGER3 P43115 2/20 0.36

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
SCHEMBL4852949 0.91 PLA2G4B (0.39) PLA2G4BSLC2A1S1PR1HIF1ATP53
SCHEMBL63676 0.81 PLA2G4B (0.50) PLA2G4BS1PR1SMN1; SMN2TBXA2RPTGER1
SCHEMBL4455826 0.81 PLA2G4B (0.50) PLA2G4BS1PR1SMN1; SMN2TBXA2RPTGER1
SCHEMBL183916 0.81 PLA2G4B (0.46) PLA2G4BS1PR1TP53SMN1; SMN2TBXA2R
SCHEMBL29465911 0.79 PLA2G4B (0.46) PLA2G4BS1PR1SMN1; SMN2TBXA2RPTGER1
SCHEMBL29396017 0.79 PLA2G4B (0.46) PLA2G4BS1PR1SMN1; SMN2TBXA2RPTGER1
Trifluoromethanesulfonic Acid SCHEMBL1042658 0.78 PLA2G4B (0.44) PLA2G4BS1PR1SMN1; SMN2PSEN1PSEN2
SCHEMBL3099626 0.78 PLA2G4B (0.44) PLA2G4BS1PR1SMN1; SMN2TBXA2RPTGER1
SCHEMBL28789833 0.77 PLA2G4B (0.43) PLA2G4BS1PR1TP53SMN1; SMN2PPARG
SCHEMBL21990 0.76 PLA2G4B (0.55) PLA2G4BS1PR1OPRM1OPRD1OPRK1

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
EP-1591097-B1 Cationically curing two component materials containing a noble metal catalyst MINNESOTA MINING MFG GMBH (DE) 2012-06-20 EP disclosed
US-7368524-B2 Cationically curing two component materials containing a noble metal catalyst 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-05-06 US disclosed
US-20060116445-A1 Cationically curing two component materials containing a noble metal catalyst 3M DEUTSCHLAND GMBH (DE) 2006-06-01 US disclosed
EP-1591097-A1 Cationically curing two component materials containing a noble metal catalyst 3M Espe AG (DE) 2005-11-02 EP 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-20060116445-A1 Cationically curing two component materials containing a noble metal catalyst CAD, ELL, MEP1A PLA2G4B 822/4885SLC2A1 4665/4885S1PR1 4598/4885

“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.