SCHEMBL924517

SCHEMBL924517

COc1ccc2c(c1)c(C(=O)[O-])c1c(-c3c(C)cc(C(=O)OCc4ccccc4)cc3C)c(OC)ccc1[n+]2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
MTNR1B P49286 2/20 0.36
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 3/20 0.35
DHODH Q02127 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PRKCZ Q05513 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL12907530 0.80 NPC1 (0.40) PRNPNPC1ATML3MBTL1DHODH
SCHEMBL10335077 0.78 RAB9A (0.39) NPC1L3MBTL1RAB9AKMT2ATDP1
SCHEMBL3047145 0.78 PLA2G2A (0.46) PRNPCA1CA2ACHEDHODH
SCHEMBL13979983 0.77 L3MBTL1 (0.42) NPC1ATML3MBTL1DHODHRAB9A
SCHEMBL7532893 0.74 DHODH (0.36) PRNPCA1CA2ACHENPC1
Trifluoromethanesulfonic Acid SCHEMBL4800357 0.72 L3MBTL1 (0.37) NPC1L3MBTL1RAB9ATDP1CASP3
Trifluoromethanesulfonic Acid SCHEMBL6202816 0.71 PLA2G2A (0.37) NPC1ATML3MBTL1TDP1PLA2G2A
SCHEMBL7538206 0.69 NPC1 (0.37) PRNPCA1CA2ACHENPC1
SCHEMBL3141368 0.69 TOP2A (0.43) DHODHKMT2ATDP1PRKCZSLC6A2
SCHEMBL13979973 0.68 TDP1 (0.35) NPC1ATML3MBTL1DHODHRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403254-B1 Novel applications of acridinium compounds and derivatives in homogeneous assays SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-09-17 EP disclosed
US-7875467-B2 Chemiluminescence; quantitative analysis of macromolecules; complexing sample to acridinium compound, labels for improving sensitivity of immunoassays, 2',6'-dimethyl-4'-N-succinimidyloxycaproyl-amidocarbonylphenyl-N10-2,7-tris[O-methoxyhexa(ethylene) glycol-sulfonamidylpropyl]-acridinium-9-carboxylate SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2011-01-25 US disclosed
US-20090029349-A1 Novel Applications of Acridinium Compounds and Derivatives in Homogeneous Assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTICS (US) 2009-01-29 US disclosed
US-20080305557-A1 Novel Applications of Acridinium Compounds and Derivatives in Homogeneous Assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTICS (US) 2008-12-11 US disclosed
US-7319041-B2 Applications of acridinium compounds and derivatives in homogeneous assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTIC (US) 2008-01-15 US disclosed
US-20040063147-A1 Novel applications of acridinium compounds and derivatives in homogeneous assays BAYER CORPORATION 2004-04-01 US disclosed
EP-1403254-A1 Novel applications of acridinium compounds and derivatives in homogeneous assays Bayer Healthcare, LLC (US) 2004-03-31 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-20040063147-A1 Novel applications of acridinium compounds and derivatives in homogeneous assays ACR, SSB, NASP PRNP 1994/4885CA1 1564/4885CA2 859/4885

“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.