SCHEMBL4339220

SCHEMBL4339220

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2nc2cc(C=O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.35
DHODH Q02127 2/20 0.35

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
SCHEMBL4183628 0.94 MAPT (0.39) MAPTALDH1A1TOP2ATOP2BTDP1
SCHEMBL9631380 0.90 TDP1 (0.47) MAPTALDH1A1TOP2ATOP2BTDP1
SCHEMBL13633650 0.90 MAPT (0.38) MAPTALDH1A1TOP2ATOP2BTDP1
SCHEMBL4183514 0.88 NPC1 (0.44) TOP2ATOP2BKMT2AL3MBTL1KDM4E
SCHEMBL4190377 0.88 MEN1 (0.42) TOP2ATOP2BKMT2A
SCHEMBL7533840 0.87 TDP1 (0.42) MAPTALDH1A1TOP2ATOP2BTDP1
SCHEMBL7532967 0.86 TACR3 (0.47) TOP2ATOP2BTDP1KMT2AL3MBTL1
SCHEMBL13633574 0.84 DHODH (0.39) MAPTALDH1A1TOP2ATOP2BTDP1
SCHEMBL5663425 0.84 LMNA (0.44) MAPTALDH1A1TOP2ATOP2BTDP1
SCHEMBL4194817 0.83 MEN1 (0.41) TOP2ATOP2BKMT2ADHODH

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 15 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
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-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed
US-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed
US-20060202179-A1 Chemiluminescent Acridinium Compounds and Analogues thereof as Substrates of Hydrolytic Enzymes BAYER CORPORATION (US) 2006-09-14 US disclosed
US-7097995-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes BAYER CORP. (US) 2006-08-29 US disclosed
US-7083986-B2 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER HEALTHCARE LLC (US) 2006-08-01 US disclosed
US-20050032147-A1 Chemiluminescent acridinum compounds and analogues thereof as substrates of hydrolytic enzymes BAYER CORPORATION 2005-02-10 US disclosed
US-6783948-B1 USED IN DIAGNOSTIC IMMUNOASSAYS; HAS DISTINCTLY DIFFERENT LIGHT EMISSION CHARACTERISTICS (EMISSION WAVELENGTH, KINETICS, OR QUANTUM YIELD) BAYER CORPORATION 2004-08-31 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

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-20050032147-A1 Chemiluminescent acridinum compounds and analogues thereof as substrates of hydrolytic enzymes MPO, LPO, PGLS MAPT 4393/4885ALDH1A1 118/4885TOP2A 2144/4885

“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.