SCHEMBL926494

SCHEMBL926494

Cc1cc(Cc2ccccc2C(=O)O)cc(C)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.60
CXCL12 P48061 2/20 0.60
TSHR P16473 2/20 0.57
PTPN1 P18031 5/20 0.54
PTPN2 P17706 2/20 0.54
PTPN6 P29350 2/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
HTT P42858 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL6369577 0.86 HMGB1 (0.73) HMGB1CXCL12TSHRPTPN1PTPN2
SCHEMBL5212920 0.86 HMGB1 (0.46) HMGB1CXCL12TSHRPTPN1PTPN2
SCHEMBL5524279 0.83 HMGB1 (0.58) HMGB1CXCL12TSHRPTPN1PTPN2
SCHEMBL28205348 0.81 TSHR (0.61) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29688181 0.79 HMGB1 (0.83) HMGB1CXCL12PTPN1PTPN2PTPN6
SCHEMBL1129138 0.79 HMGB1 (0.83) HMGB1CXCL12PTPN1PTPN2PTPN6
SCHEMBL23003 0.79 TSHR (0.79) TSHRPTPN1PTPN2PTPN6ALDH1A1
SCHEMBL1395559 0.78 PTPN1 (0.72) HMGB1CXCL12PTPN1PTPN2PTPN6
SCHEMBL29688190 0.78 PTPN1 (0.72) HMGB1CXCL12PTPN1PTPN2PTPN6
SCHEMBL4908158 0.78 TSHR (0.72) TSHRPTPN1PTPN2PTPN6ALDH1A1

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
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-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-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-7083986-B2 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER HEALTHCARE LLC (US) 2006-08-01 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
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-20040063147-A1 Novel applications of acridinium compounds and derivatives in homogeneous assays ACR, SSB, NASP HMGB1 1566/4885CXCL12 4429/4885TSHR 257/4885

“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.