SCHEMBL4957161

SCHEMBL4957161

O=C(O)CC(O)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.61
HIF1A Q16665 4/20 0.54
ADRB1 P08588 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRB2 P07550 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRB3 P13945 1/20 0.54
TSHR P16473 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
NFKB1 P19838 1/20 0.54
DRD1 P21728 1/20 0.54
HTR7 P34969 1/20 0.54
ADRA1B P35368 1/20 0.54
DRD3 P35462 1/20 0.54
RAB9A P51151 1/20 0.54
SLC6A3 Q01959 1/20 0.54
LMNA P02545 4/20 0.53
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL30217538 1.00 KYNU (0.61) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL26629503 0.85 KYNU (0.51) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL28827890 0.84 HIF1A (0.57) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL3442806 0.84 L3MBTL1 (0.62) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL5858131 0.83 GABBR2 (0.52) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL3096495 0.80 KYNU (0.52) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL3874627 0.80 KMT2A (0.60) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL3654628 0.80 HIF1A (0.50) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL14609675 0.80 CYP26A1 (0.49) L3MBTL1
SCHEMBL3658103 0.80 HIF1A (0.50) KYNUHIF1AADRB1ADRA1AADRB2

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 149 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
EP-4720665-A1 METHOD OF DIAGNOSIS AND TREATMENT OF ALZHEIMER'S DISEASE Molecular You Corporation (CA) 2026-04-08 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-119985745-A Detection method for micromolecular phenolic substances and application thereof 北京中医药大学 2025-05-13 CN 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-20250012780-A1 Application of Organic Acids in Urine for Health Management OU YUNG CHUN (TW) 2025-01-09 US claimed
WO-2024239122-A1 METHOD OF DIAGNOSIS AND TREATMENT OF ALZHEIMER'S DISEASE Molecular You Corporation (CA) 2024-11-28 WO claimed
CN-117965115-A Adhesive for salt lake lithium extraction adsorbent, adsorbent and preparation method thereof 天齐锂业(射洪)有限公司 2024-05-03 CN claimed
US-20240084394-A1 URINARY METABOLOMIC BIOMARKERS FOR DETECTING COLORECTAL CANCER AND POLYPS METABOLOMIC TECHNOLOGIES INC. (CA) 2024-03-14 US claimed
US-11840720-B2 Urinary metabolomic biomarkers for detecting colorectal cancer and polyps METABOLOMIC TECHNOLOGIES INC. (CA) 2023-12-12 US claimed
WO-2021003560-A1 METHOD AND SYSTEM FOR PERSONALIZED, MOLECULAR BASED HEALTH MANAGEMENT AND DIGITAL CONSULTATION AND TREATMENT Molecular You Corporation (CA) 2021-01-14 WO claimed
US-20210005327-A1 METHOD AND SYSTEM FOR PERSONALIZED, MOLECULAR BASED HEALTH MANAGEMENT AND DIGITAL CONSULTATION AND TREATMENT Molecular You Corporation (CA) 2021-01-07 US claimed
US-20200390809-A1 GUT-SELECTIVE SEQUESTERING AGENTS FOR THE TREATMENT AND PREVENTION OF AUTISM AND RELATED DISORDERS AXIAL BIOTHERAPEUTICS, INC. (US) 2020-12-17 US claimed
CN-109810906-B Endophytic fungi and application thereof in fermentation preparation of phenolic acid compounds 山东省科学院生物研究所 2020-11-06 CN claimed
CN-110944650-A Gut-selective chelating agents for the treatment and prevention of autism and related disorders 轴向生物治疗股份有限公司 2020-03-31 CN claimed
EP-3600349-A1 GUT-SELECTIVE SEQUESTERING AGENTS FOR THE TREATMENT AND PREVENTION OF AUTISM AND RELATED DISORDERS Axial Biotherapeutics, Inc. (US) 2020-02-05 EP claimed
CN-109704954-A 3-(3- hydroxy phenyl) derivative of -3- hydracrylic acid, homogeneous enzyme immunoassay detection reagent and preparation method thereof 苏州博源医疗科技有限公司 2019-05-03 CN claimed
WO-2018183986-A1 GUT-SELECTIVE SEQUESTERING AGENTS FOR THE TREATMENT AND PREVENTION OF AUTISM AND RELATED DISORDERS AXIAL BIOTHERAPEUTICS, INC. (US) 2018-10-04 WO claimed
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO claimed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US claimed