SCHEMBL896902

SCHEMBL896902

Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)cc1O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 15/20 1.00
FLT1 P17948 1/20 0.65
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11215846 0.92 AHR (1.00) AHRFLT1TP53
SCHEMBL28555079 0.92
SCHEMBL2885125 0.92 AHR (1.00) AHRFLT1TP53
SCHEMBL29588977 0.92 AHR (1.00) AHRFLT1TP53
Ethane SCHEMBL28390963 0.87 AHR (0.90) AHRFLT1TP53
SCHEMBL1690731 0.85 AHR (0.85) AHRFLT1TP53TSHRCYP3A4
SCHEMBL9346815 0.82 AHR (0.71) AHRFLT1
SCHEMBL29488625 0.82 AHR (0.71) AHRFLT1
SCHEMBL5493456 0.82 AHR (0.71) AHRFLT1
SCHEMBL29623191 0.82 AHR (0.71) AHRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110501323-B Rapid detection method for dioxin pollutants based on enhanced Raman spectroscopy 绍兴谱分科技有限公司 2021-12-31 CN disclosed
US-8793078-B2 Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) 2014-07-29 US disclosed
US-20120084012-A1 METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) 2012-04-05 US disclosed
US-20110213558-A1 METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) 2011-09-01 US disclosed
EP-2354987-A2 METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR Bioinformatics&Molecular Design Research Center (KR) 2011-08-10 EP disclosed
WO-2010056053-A2 METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR 사단법인 분자설계연구소 (KR) 2010-05-20 WO disclosed
US-7598074-B2 Bioreactor comprising bacillus culture for use in bioremediation of fly ash TAKASAGO THERMAL ENGINEERING CO., LTD. (JP) 2009-10-06 US disclosed
US-20080038838-A1 Dioxin-Binding Material and Method of Detecting or Quantifying Dioxin TOWA KAGAKU CO., LTD. (JP) 2008-02-14 US disclosed
US-20080038838-A1 Dioxin-Binding Material and Method of Detecting or Quantifying Dioxin TOWA KAGAKU CO., LTD. (JP) 2008-02-14 US disclosed
US-20050208642-A1 System and method for cleaning contaminated matter comprising dioxins and preparation for decomposing dioxins TAKASAGO THERMAL ENGINEERING CO., LTD. 2005-09-22 US disclosed
JP-2003231697-A DIOXIN TRAPPING ABILITY-POSSESSING PROTEIN JAPAN SCIENCE & TECHNOLOGY CORP 2003-08-19 JP disclosed
US-20030108955-A1 Dioxin derivatives and method of measurement therewith OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-06-12 US disclosed
EP-1256579-A1 DIOXIN DERIVATIVES AND METHOD OF MEASUREMENT THEREWITH OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
US-5429925-A Solvent extraction, suspension in acid and separation of dioxins and dibenzofuran THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-07-04 US disclosed
EP-0251635-B1 Monoclonal antibodies and method for detecting dioxins and dibenzofurans UNIV CALIFORNIA (US) 1994-08-10 EP disclosed
EP-0332819-B1 Method for the immunoassay of dioxins and dibenzofurans UNIV CALIFORNIA (US) 1993-12-01 EP disclosed
EP-0332819-A1 Method for the immunoassay of dioxins and dibenzofurans THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-09-20 EP disclosed
US-4798807-A HYBRIDOMAS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-01-17 US disclosed
EP-0258006-A2 Monoclonal antibodies reactive with chlorinated dibenzo-p-dioxins and method of preparing and using same WESTINGHOUSE ELECTRIC CORPORATION (US) 1988-03-02 EP disclosed
EP-0251635-A2 Monoclonal antibodies and method for detecting dioxins and dibenzofurans THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-01-07 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 (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-20080038838-A1 Dioxin-Binding Material and Method of Detecting or Quantifying Dioxin SHBG, DDX5, DAXX AHR 393/4885FLT1 3539/4885TP53 1704/4885
US-20030108955-A1 Dioxin derivatives and method of measurement therewith PRMT1, PADI1, PADI2 AHR 225/4885FLT1 503/4885TP53 1952/4885

“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.