SCHEMBL4178439

SCHEMBL4178439

Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
GAA P10253 4/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 4/20 0.34
ACHE P22303 3/20 0.34
POLB P06746 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PTGER4 P35408 1/20 0.33
DHODH Q02127 1/20 0.32
EGFR P00533 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 2/20 0.32
PIM1 P11309 1/20 0.32
IRAK1 P51617 1/20 0.32
CAMK2B Q13554 1/20 0.32
CAMK2G Q13555 1/20 0.32

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
SCHEMBL4192623 0.94 ACHE (0.34) MAPTGAAHTTKDM4EHSD17B10
SCHEMBL4192297 0.92 GAA (0.37) MAPTGAAHTTKDM4EHSD17B10
Bromide SCHEMBL4190244 0.91 GAA (0.36) MAPTGAAHTTKDM4EHSD17B10
SCHEMBL12907529 0.88 TTR (0.38) MAPTGAAHTTKDM4EHSD17B10
SCHEMBL4197112 0.87 TTR (0.40) MAPTGAAHTTKDM4EHSD17B10
SCHEMBL13633608 0.87 TTR (0.40) MAPTGAAHTTKDM4EHSD17B10
Bromide SCHEMBL8908965 0.87 TTR (0.37) MAPTGAAHTTKDM4EHSD17B10
SCHEMBL13633604 0.83 TTR (0.40) MAPTTP53LMNAACHEPOLB
SCHEMBL4187766 0.83 TTR (0.40) MAPTTP53LMNAACHEPOLB
SCHEMBL13638337 0.82 MAPT (0.39) MAPTGAAHTTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed
EP-1104405-B1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-02-18 EP disclosed
US-7083986-B2 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER HEALTHCARE LLC (US) 2006-08-01 US disclosed
US-20020076823-A1 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER CORPORATION (US) 2002-06-20 US disclosed
US-6355803-B1 COMPOUND COMPRISING EXTENDED, COPLANAR, CONJUGATED SYSTEM, FORMED BY ATTACHMENT OF FUNCTIONAL GROUP COMPRISING AROMATIC RING AND ELECTRON-DONATING GROUP ON ACRIDINIUM NUCLEUS, WHICH MAINTAINS COPLANARITY DURING LIGHT EMISSION BAYER CORPORATION 2002-03-12 US disclosed
EP-1104405-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF Bayer Corporation (US) 2001-06-06 EP disclosed
WO-2000009487-A9 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER AG (US) 2000-06-22 WO disclosed
WO-2000009487-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER CORPORATION (US) 2000-02-24 WO disclosed