SCHEMBL923917

SCHEMBL923917

COc1ccc2nc3ccc(OCc4ccccc4)cc3c(C(=O)O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.55
MAOB P27338 2/20 0.55
PLA2G2A P14555 2/20 0.55
MRGPRX4 Q96LA9 2/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
SCD O00767 1/20 0.52
ANO1 Q5XXA6 1/20 0.51
HDAC8 Q9BY41 2/20 0.50
FLT3 P36888 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
IP6K1 Q92551 1/20 0.50
HDAC3 O15379 1/20 0.49

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
SCHEMBL4796184 0.90 HDAC3 (0.56) MRGPRX4HDAC8RAB9AIP6K1HDAC3
SCHEMBL641481 0.85 KDM4E (0.62) PLA2G2ARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3036200 0.84 KDM4E (0.56) PLA2G2APKMNFKB1RAB9ANFKB2
SCHEMBL7533914 0.82 CYP2D6 (0.55) PLA2G2ANFKB1RAB9ANFKB2RELA
SCHEMBL12943042 0.82 PLA2G2A (0.58) PLA2G2ASMN1; SMN2MEN1KMT2A
SCHEMBL4802002 0.79 PLA2G2A (0.48) MMP13MAOBPLA2G2AEGFRERBB2
SCHEMBL15493303 0.77 PLA2G2A (0.47) MMP13MAOBPLA2G2AEGFRERBB2
SCHEMBL15491331 0.76 PLA2G2A (0.47) MMP13PLA2G2AEGFRERBB2SCD
SCHEMBL13985404 0.75 DHODH (0.58) PLA2G2AHDAC8TP53RAB9ASMN1; SMN2
SCHEMBL2910287 0.75 MCL1 (0.55) MAOBHDAC8RAB9AIP6K1HDAC3

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153115-B Zwitterionic acridinium compounds 西门子医疗保健诊断公司 2021-08-03 CN disclosed
EP-3067345-B1 ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2018-09-05 EP disclosed
US-9575062-B2 Zwitterion-containing acridinium compounds SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-02-21 US disclosed
EP-3067345-A1 ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS Siemens Healthcare Diagnostics Inc. (US) 2016-09-14 EP disclosed
EP-2501681-B1 ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS SIEMENS HEALTHCARE DIAGNOSTICS (US) 2016-05-25 EP disclosed
CN-105153115-A Zwitterion-containing acridinium compounds SIEMENS HEALTHCARE DIAGNOSTICS 2015-12-16 CN disclosed
CN-102762539-B Zwitterionic acridinium compounds SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2015-07-29 CN disclosed
US-20140295575-A1 ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2014-10-02 US disclosed
EP-1403254-B1 Novel applications of acridinium compounds and derivatives in homogeneous assays SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-09-17 EP disclosed
US-8778624-B2 Zwitterion-containing acridinium compounds SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2014-07-15 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-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
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-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
EP-1203091-A1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES Bayer Corporation (US) 2002-05-08 EP disclosed
WO-2001009372-A1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES BAYER CORPORATION (US) 2001-02-08 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 (2 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 MMP13 1045/4885MAOB 64/4885PLA2G2A 2996/4885
US-20040063147-A1 Novel applications of acridinium compounds and derivatives in homogeneous assays ACR, SSB, NASP MMP13 4400/4885MAOB 1063/4885PLA2G2A 2946/4885

“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.