SCHEMBL4183514

SCHEMBL4183514

COc1ccc(C=Cc2ccc3c(C(=O)Oc4c(C)cc(C(=O)OCc5ccccc5)cc4C)c4ccccc4nc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
DHODH Q02127 2/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AURKA O14965 1/20 0.41
MAOB P27338 1/20 0.40
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
TACR3 P29371 1/20 0.39
PADI4 Q9UM07 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EDNRA P25101 1/20 0.38
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL4192241 0.95 DHODH (0.45) NPC1RAB9AKDM4EPKMDHODH
SCHEMBL13633577 0.95 DHODH (0.45) NPC1RAB9AKDM4EPKMDHODH
SCHEMBL4190377 0.93 MEN1 (0.42) MAOBTOP2ATOP2BMEN1KMT2A
SCHEMBL13633650 0.92 MAPT (0.38) NPC1RAB9AKDM4EDHODHTOP2A
SCHEMBL7532967 0.90 TACR3 (0.47) NPC1DHODHATML3MBTL1MAOB
SCHEMBL4480370 0.88 MEN1 (0.42) MAOBMEN1KMT2AGSK3BBACE1
SCHEMBL4339220 0.88 MAPT (0.39) NPC1RAB9AKDM4EDHODHL3MBTL1
SCHEMBL13633574 0.87 DHODH (0.39) NPC1RAB9AKDM4EDHODHL3MBTL1
SCHEMBL3034156 0.87 PLA2G2A (0.48) NPC1KDM4EDHODHATML3MBTL1
SCHEMBL9631380 0.85 TDP1 (0.47) NPC1RAB9AKDM4EDHODHL3MBTL1

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