SCHEMBL4185336

SCHEMBL4185336

COC(C)OCOc1ccc(N2C(=O)C(=O)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.51
ALDH1A1 P00352 4/20 0.50
CES1 P23141 3/20 0.50
GAA P10253 2/20 0.50
BCHE P06276 2/20 0.50
CES2 O00748 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 5/20 0.42
MAPT P10636 2/20 0.40
NR1H3 Q13133 1/20 0.40
TTR P02766 1/20 0.39
MEN1 O00255 3/20 0.39
CYP2C9 P11712 2/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
AGTR1 P30556 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.37
CASP3 P42574 1/20 0.36

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
SCHEMBL4185409 0.81 AOC3 (0.56) AOC3ALDH1A1CES1GAABCHE
SCHEMBL3047148 0.78 ALDH1A1 (0.67) AOC3ALDH1A1CES1GAABCHE
SCHEMBL13985405 0.77 CES1 (0.58) AOC3ALDH1A1CES1GAABCHE
SCHEMBL5353595 0.77 KMT2A (0.70) AOC3ALDH1A1CES1GAABCHE
SCHEMBL4185333 0.76 ALDH1A1 (0.50) AOC3ALDH1A1CES1GAABCHE
SCHEMBL4803974 0.75 ALDH1A1 (0.62) AOC3ALDH1A1CES1GAABCHE
SCHEMBL25706948 0.73 AOC3 (0.48) AOC3ALDH1A1CES1GAABCHE
SCHEMBL25707296 0.71 AOC3 (0.46) AOC3ALDH1A1CES1GAABCHE
SCHEMBL20721761 0.70 CES1 (0.73) AOC3ALDH1A1CES1GAABCHE
SCHEMBL29506688 0.70 CES1 (0.73) AOC3ALDH1A1CES1GAABCHE

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 16 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-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
EP-1203091-B1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES BAYER AG (US) 2005-03-16 EP 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
EP-1203091-A1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES Bayer Corporation (US) 2002-05-08 EP 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-2001009372-A1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES BAYER CORPORATION (US) 2001-02-08 WO 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 AOC3 810/4885ALDH1A1 118/4885CES1 142/4885

“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.