SCHEMBL1305232

SCHEMBL1305232

O=C(O)c1cc(O)c2cc(Cl)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 2/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
HPGD P15428 1/20 0.49
CASP7 P55210 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
IGFBP3 P17936 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DHODH Q02127 4/20 0.44
FABP4 P15090 4/20 0.44
FABP3 P05413 3/20 0.44
IGFBP5 P24593 2/20 0.43

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
7-Chlorokynurenic Acid SCHEMBL31238955 0.88 IGFBP3 (0.47) ALDH1A1CYP2C9PTGESALOX5HPGD
7-Chlorokynurenic Acid SCHEMBL29386783 0.88 IGFBP3 (0.47) ALDH1A1CYP2C9PTGESALOX5HPGD
7-Chlorokynurenic Acid SCHEMBL157187 0.88 IGFBP3 (0.47) ALDH1A1CYP2C9PTGESALOX5HPGD
7-Chlorokynurenic Acid SCHEMBL20770380 0.87 IGFBP3 (0.46) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL14514062 0.87 GRM2 (0.53) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL2908784 0.83 PLA2G2A (0.51) ALDH1A1HPGD
SCHEMBL30120641 0.83 ALDH1A1 (0.65) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL11668861 0.83 ALDH1A1 (0.65) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL975885 0.82 IGFBP5 (0.43) ALDH1A1ALOX5HIF1AIGFBP3CA1
SCHEMBL9441972 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C9PTGESALOX5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053585-B2 Protecting group for carboxylic acids that can be photolyzed by visible light CORNELL RESEARCH FOUNDATION, INC. (US) 2011-11-08 US claimed
US-20070243519-A1 Protecting group for carboxylic acids that can be photolyzed by visible light CORNELL RESEARCH FOUNDATION, INC. (US) 2007-10-18 US claimed
US-20050037445-A1 Oncology drug innovation POULSEN, HANS SKOVGAARD (DK) 2005-02-17 US claimed
CN-1547617-A Medicine innovation for oncology 2 2004-11-17 CN claimed
EP-1446501-A2 METHODS FOR IDENTIFICATION OF CANCER CELL SURFACE MOLECULES AND CANCER SPECIFIC PROMOTERS, AND THERAPEUTIC USES THEREOF Buadbo APS (DK) 2004-08-18 EP claimed
WO-2003000928-A2 METHODS FOR IDENTIFICATION OF CANCER CELL SURFACE MOLECULES AND CANCER SPECIFIC PROMOTERS, AND THERAPEUTIC USES THEREOF BUADBO APS (DK) 2003-01-03 WO claimed
US-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US claimed
US-5430175-A Caged carboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1995-07-04 US claimed
WO-1995015305-A1 CAGED CARVOXYL COMPOUNDS AND THEIR USE IN CHEMICAL KINETIC INVESTIGATION OF NEUROTRANSMITTER RECEPTORS CORNELL RESEARCH FOUNDATION, INC. (US) 1995-06-08 WO claimed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8053585-B2 Protecting group for carboxylic acids that can be photolyzed by visible light CORNELL RESEARCH FOUNDATION, INC. (US) 2011-11-08 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 US disclosed
WO-2003000928-A2 METHODS FOR IDENTIFICATION OF CANCER CELL SURFACE MOLECULES AND CANCER SPECIFIC PROMOTERS, AND THERAPEUTIC USES THEREOF BUADBO APS (DK) 2003-01-03 WO disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US disclosed
WO-1995015305-A1 CAGED CARVOXYL COMPOUNDS AND THEIR USE IN CHEMICAL KINETIC INVESTIGATION OF NEUROTRANSMITTER RECEPTORS CORNELL RESEARCH FOUNDATION, INC. (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 (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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS ALDH1A1 4360/4885CYP2C9 4064/4885PTGES 4602/4885
US-20070243519-A1 Protecting group for carboxylic acids that can be photolyzed by visible light CYBA, ALDH3A1, HCCS ALDH1A1 37/4885CYP2C9 90/4885PTGES 1278/4885

“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.