SCHEMBL1468956

SCHEMBL1468956

O=C(O)c1cccc2c1C(=O)OC21c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
BRCA1 P38398 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
DHFR P00374 3/20 0.39
TYMS P04818 3/20 0.39
FTO Q9C0B1 5/20 0.39
MEN1 O00255 3/20 0.39
RECQL P46063 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMAD3 P84022 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
BLM P54132 2/20 0.39
CYP2C19 P33261 1/20 0.39
PRMT1 Q99873 1/20 0.39

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
SCHEMBL5269025 0.86 ALDH1A1 (0.40) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL31110327 0.84 DHFR (0.39) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL17534865 0.83 HPGD (0.38) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL3983885 0.83 MAPT (0.39) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL235829 0.82 SMAD3 (0.40) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL29461682 0.82 SMAD3 (0.40) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL1022908 0.82 SMAD3 (0.40) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL20832 0.81 ALDH1A1 (0.60) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL18171688 0.81 ALDH1A1 (0.44) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL4278233 0.81 DHFR (0.39) ALDH1A1HPGDBRCA1HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160273025-A1 PEPTIDE NUCLEIC ACID PROBE, KIT AND METHOD FOR THE DETECTION AND/OR QUANTIFICATION OF ESHERICHIA COLI O157:H7 AND APPLICATIONS THEREOF UNIVERSIDADE DO MINHO (PT) 2016-09-22 US claimed
US-20160137693-A1 PEPTIDE NUCLEIC ACID PROBE (PNA), KIT AND METHOD FOR DETECTION OF ASPERGILLUS FUMIGATUS AND APPLICATIONS THEREOF UNIVERSIDADE DO MINHO (PT) 2016-05-19 US claimed
EP-2993237-A2 PEPTIDE NUCLEIC ACID (PNA) PROBE, KIT AND METHOD FOR DETECTING AND/OR QUANTIFYING ESCHERICHIA COLI 0157 : H7 Universidade do Minho (PT) 2016-03-09 EP claimed
EP-2553120-B1 PEPTIDE NUCLEICACID PROBE, KIT AND METHOD FOR DETECTION AND/OR QUANTIFICATION OF SALMONELLA SPP. AND APPLICATIONS THEREOF UNIV DO MINHO (PT) 2015-04-22 EP claimed
EP-2805151-A1 OPTODE FOR DETERMINING CHEMICAL PARAMETERS Universität Potsdam (DE) 2014-11-26 EP claimed
WO-2013107895-A1 OPTODE FOR DETERMINING CHEMICAL PARAMETERS UNIVERSITÄT POTSDAM (DE) 2013-07-25 WO claimed
US-20130102000-A1 PEPTIDE NUCLEIC ACID PROBE, KIT AND METHOD FOR DETECTION AND/OR QUANTIFICATION OF SALMONELLA SPP. AND APPLICATIONS THEREOF UNIVERSIDADE DO MINHO (PT) 2013-04-25 US claimed
US-20120231455-A1 PEPTIDE NUCLEIC ACID PROBES, KIT AND METHOD FOR DETECTING HELICOBACTER PYLORI AND/OR CLARITHROMYCIN RESISTANCE PROFILE AND APPLICATIONS UNIVERSIDADE DO MINHO (PT) 2012-09-13 US claimed
US-20110070166-A1 REDUCED DYE PROBES FOR THE DETECTION OF RADICAL OXYGEN SPECIES GEORGIA TECH RESEARCH CORPORATION 2011-03-24 US claimed
WO-2023160671-A1 INDUCIBLE MATURE LIVER CELL AND METHOD FOR PREPARING SAME 清华大学 2023-08-31 WO disclosed
US-20220135941-A1 COMPOSITIONS AND METHODS FOR LONG TERM CULTURE OF HEPATOCYTES PEKING UNIVERSITY (CN) 2022-05-05 US disclosed
WO-2020154386-A1 HIGH-CONTENT IMAGING OF MICROFLUIDIC DEVICES EMULATE, Inc. (US) 2020-07-30 WO disclosed
US-20160273025-A1 PEPTIDE NUCLEIC ACID PROBE, KIT AND METHOD FOR THE DETECTION AND/OR QUANTIFICATION OF ESHERICHIA COLI O157:H7 AND APPLICATIONS THEREOF UNIVERSIDADE DO MINHO (PT) 2016-09-22 US disclosed
US-20160137693-A1 PEPTIDE NUCLEIC ACID PROBE (PNA), KIT AND METHOD FOR DETECTION OF ASPERGILLUS FUMIGATUS AND APPLICATIONS THEREOF UNIVERSIDADE DO MINHO (PT) 2016-05-19 US disclosed
WO-2006082059-A1 ESTERASES FOR MONITORING PROTEIN BIOSYNTHESIS IN VITRO UNIVERSITÄT BAYREUTH (DE) 2006-08-10 WO disclosed
US-20060064778-A1 Method for the production of plant seed with modified fiber content and modified seed coat NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2006-03-23 US disclosed
US-5773227-A CHELATE COMPOUNDS, FLUORESCENT INDICATOR AND TARGET PEPTIDES MOLECULAR PROBES, INC. (US) 1998-06-30 US disclosed
EP-0731664-A1 SENSOR WITH IMPROVED DRIFT STABILITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-09-18 EP disclosed
US-5453517-A Covalently attached to fluorophores and/or polymers; detoxify excess metals, in vitro buffers, optical indicators of ionic transients MOLECULAR PROBES, INC. (US) 1995-09-26 US disclosed
WO-1995015114-A1 SENSOR WITH IMPROVED DRIFT STABILITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-08 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 (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-20110070166-A1 REDUCED DYE PROBES FOR THE DETECTION OF RADICAL OXYGEN SPECIES ROS1, GPX4, DHRS9 ALDH1A1 645/4885HPGD 92/4885BRCA1 3434/4885

“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.