SCHEMBL4185433

SCHEMBL4185433

Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](CCCCS(=O)(=O)O)c2cc(C=Cc3ccc(O)cc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.35
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 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
SCHEMBL13633573 0.94 TTR (0.31) TTRMEN1ALDH1A1POLBPKM
SCHEMBL4187542 0.88
SCHEMBL13979979 0.88 GAA (0.32) MEN1ALDH1A1POLBHTTKMT2A
SCHEMBL4186120 0.88 PKM (0.36) MEN1ALDH1A1POLBPKMOPRK1
SCHEMBL13633676 0.88 PKM (0.36) MEN1ALDH1A1POLBPKMOPRK1
SCHEMBL13633607 0.87 MAPT (0.35) L3MBTL1
SCHEMBL10091801 0.86 ALDH1A1 (0.35) TTRMEN1ALDH1A1POLBHTT
SCHEMBL4191631 0.85 LCK (0.34) SMN1; SMN2
SCHEMBL4178411 0.85 NPC1 (0.35) MEN1ALDH1A1PKMKMT2ASMN1; SMN2
SCHEMBL13633666 0.82

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