SCHEMBL600772

SCHEMBL600772

O=C(O)CNC(=O)c1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 3/20 0.62
EGLN2 Q96KS0 1/20 0.59
HPGD P15428 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA6 P23280 1/20 0.55
CA9 Q16790 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTPRC P08575 2/20 0.53
CTSL P07711 1/20 0.53
PTPN13 Q12923 1/20 0.53
MAPT P10636 2/20 0.51
HIF1A Q16665 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
PLA2G10 O15496 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL29395845 1.00 KDM4E (0.62) KDM4EALDH1A1EGLN2HPGDCA1
SCHEMBL29238224 0.98 KDM4E (0.61) KDM4EALDH1A1EGLN2HPGDCA1
Benzoic Acid SCHEMBL15670727 0.94 CA12 (0.58) KDM4EALDH1A1EGLN2HPGDCA1
SCHEMBL1840451 0.89 KDM4E (0.60) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL29780425 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL23484191 0.83 KDM4E (0.69) KDM4EALDH1A1EGLN2CA1CA2
SCHEMBL3197946 0.83 KDM4E (0.59) KDM4EALDH1A1EGLN2HPGDCA1
SCHEMBL7443371 0.83 ALDH1A1 (0.54) KDM4EALDH1A1EGLN2CA1CA2
Hippuric Acid SCHEMBL8957458 0.81 HIF1A (0.59) KDM4ECA1CA2SMN1; SMN2PTPRC
SCHEMBL1285808 0.81 NPC1 (0.63) KDM4EALDH1A1HPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3869192-B1 METHOD FOR QUANTITATIVE DETECTION OF VARIOUS METABOLITES IN BIOLOGICAL SAMPLE HUMAN METABOLOMICS INST INC (CN) 2026-05-13 EP claimed
US-20250258146-A1 QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP HUMAN METABOLOMICS INSTITUTE INC. (CN) 2025-08-14 US claimed
CN-119555822-A Urine metabolism marker composition for diagnosis of cancer seeds of pan-cancer, screening method and application 哈尔滨脉图精准技术有限公司 2025-03-04 CN claimed
US-20250051551-A1 IMPROVED POLYMER COMPOSITES WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2025-02-13 US claimed
CN-119291059-A Screening method for metabolic markers for distinguishing non-colorectal cancer diseases from colorectal cancer and application of screening method 哈尔滨脉图精准技术有限公司 2025-01-10 CN claimed
US-20240230622-A9 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-07-11 US claimed
CN-118084715-A 3-Hydroxy hippuric acid derivative, 3-hydroxy hippuric acid immunodetection reagent and preparation method thereof 合肥爱索特克医学检验实验室有限公司 2024-05-28 CN claimed
US-20240133865-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-04-25 US claimed
US-20240019417-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-01-18 US claimed
WO-2023185709-A1 MARKER COMBINATION FOR DIAGNOSING ADVANCED COLORECTAL TUMOR, AND APPLICATION THEREOF 武汉迈特维尔医学科技有限公司 2023-10-05 WO claimed
US-20150293072-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2015-10-15 US claimed
WO-2015157601-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK SYNAPDX CORPORATION (US) 2015-10-15 WO claimed
US-20150065366-A1 Biomarkers for Bladder Cancer and Methods Using the Same METABOLON, INC. 2015-03-05 US claimed
CN-104204798-A Biomarkers for bladder cancer and methods using the same METABOLON INC 2014-12-10 CN claimed
EP-2776832-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2014-09-17 EP claimed
WO-2013188333-A1 BIOMARKERS RELATED TO NEPHROTOXICITY AND METHODS USING THE SAME METABOLON, INC. (US) 2013-12-19 WO claimed
US-20130234071-A1 COMPOSITION OF HUMAN SYNTHETIC URINE DENEAU JOEL DAVID (US) 2013-09-12 US claimed
WO-2013070839-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2013-05-16 WO claimed
WO-2013048344-A1 URINARY METABOLOMIC MARKERS FOR RENAL INSUFFICIENCY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-04-04 WO claimed
US-20120040383-A1 Methods and Kits Relating To Metabolite Biomarkers For Colorectal Cancer THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO 2012-02-16 US claimed