SCHEMBL1022908

SCHEMBL1022908

O=C(O)c1cc(Cl)c2c(c1Cl)C(=O)OC21c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
BRCA1 P38398 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
THRB P10828 2/20 0.38
BLM P54132 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
GLB1 P16278 1/20 0.38

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
SCHEMBL29461682 0.91 SMAD3 (0.40) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL235829 0.91 SMAD3 (0.40) SMAD3ALDH1A1HPGDHSD17B10BRCA1
Cyanide SCHEMBL6533545 0.88 SMAD3 (0.38) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL5958386 0.87 SMAD3 (0.36) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL5665945 0.85 ALDH1A1 (0.58) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL6045753 0.83 ALDH1A1 (0.47) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL1444923 0.83 SMAD3 (0.57) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL1468956 0.82 ALDH1A1 (0.40) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL204164 0.81 ALDH1A1 (0.48) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL1689593 0.80 ALDH1A1 (0.44) SMAD3ALDH1A1HPGDHSD17B10BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9110075-B2 Compositions for analyzing proteins MONOGRAM BIOSCIENCES, INC. (US) 2015-08-18 US claimed
US-20130122506-A1 NUCLEIC ACID BASE ANALOGS WITH QUENCHING AND FLUORESCENT ACTIVITIES AND APPLICATIONS THEREOF TAGCYX BIOTECHNOLOGIES C/O RIKEN (JP) 2013-05-16 US claimed
EP-2562255-A1 NUCLEIC ACID BASE ANALOG WITH QUENCHING CHARACTERISTICS AND FLUORESCENCE AND APPLICATION THEREOF Riken (JP) 2013-02-27 EP claimed
US-8212014-B2 Artificial base pairs and uses thereof RIKEN (JP) 2012-07-03 US claimed
US-7960543-B2 Nucleoside or nucleotide derivative and use thereof RIKEN (JP) 2011-06-14 US claimed
US-20100285598-A1 Novel Artificial Base Pairs and Uses Thereof RIKEN (JP) 2010-11-11 US claimed
US-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof RIKEN (JP) 2009-11-05 US claimed
EP-1921141-A1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF Riken (JP) 2008-05-14 EP claimed
EP-1816130-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVE AND USE THEREOF Riken (JP) 2007-08-08 EP claimed
EP-3180464-A1 DETECTION OF NUCLEIC ACIDS The Regents of The University of Michigan (US) 2017-06-21 EP disclosed
US-9285319-B2 Nucleic acid base analogs with quenching and fluorescent activities and applications thereof RIKEN (JP) 2016-03-15 US disclosed
WO-2016025477-A1 DETECTION OF NUCLEIC ACIDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-02-18 WO disclosed
US-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
US-20130122506-A1 NUCLEIC ACID BASE ANALOGS WITH QUENCHING AND FLUORESCENT ACTIVITIES AND APPLICATIONS THEREOF TAGCYX BIOTECHNOLOGIES C/O RIKEN (JP) 2013-05-16 US disclosed
EP-1537230-A1 FLUORESCENT ENZYME ASSAY METHODS AND COMPOSITIONS Applera Corporation (US) 2005-06-08 EP disclosed
US-20040146959-A1 Fluorescent enzyme assay methods and compositions APPLIED BIOSYSTEMS, LLC 2004-07-29 US disclosed
US-20040106120-A1 Diagnosis and treatment of disease AVLARBIOVENTURES LIMITED AS MANAGER OF AVLAR BIOVENTURES FUND II LIMITED PARTNERSHIP AND SITKA HEALTH FUND VCT PLC (GB) 2004-06-03 US disclosed
WO-2004022773-A1 FLUORESCENT ENZYME ASSAY METHODS AND COMPOSITIONS APPLERA CORPORATION (US) 2004-03-18 WO disclosed
EP-1356298-A2 DIAGNOSIS AND TREATMENT OF DISEASE Molecular Skincare Limited (GB) 2003-10-29 EP disclosed
WO-2002044736-A2 DIAGNOSIS AND TREATMENT OF EPIDERMAL OR SKIN DISEASES MOLECULAR SKINCARE LIMITED (GB) 2002-06-06 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-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof DUT, NT5C3B, NT5C SMAD3 1901/4885ALDH1A1 2280/4885HPGD 735/4885
US-20100285598-A1 Novel Artificial Base Pairs and Uses Thereof POLRMT, RNGTT, POLN SMAD3 4583/4885ALDH1A1 3557/4885HPGD 3654/4885

“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.