SCHEMBL580501

SCHEMBL580501

Cc1cc(=O)oc2cc(O)c(Br)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
KDM4E B2RXH2 7/20 0.74
HPGD P15428 7/20 0.74
HSD17B10 Q99714 7/20 0.74
MCL1 Q07820 4/20 0.74
AKR1B1 P15121 2/20 0.74
CYP3A4 P08684 2/20 0.74
THRB P10828 1/20 0.74
HTT P42858 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
CASP1 P29466 5/20 0.56
CASP7 P55210 5/20 0.56
GAA P10253 4/20 0.56
GLA P06280 3/20 0.56
CA9 Q16790 3/20 0.56
CYP1A2 P05177 2/20 0.56
CA12 O43570 2/20 0.56
LMNA P02545 1/20 0.56
CYP2C9 P11712 1/20 0.56
UGT1A1 P22309 1/20 0.56

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
4-Methylesculetin SCHEMBL29361762 0.85 MCL1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MCL1
4-Methylesculetin SCHEMBL409482 0.85 MCL1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MCL1
4-Methylesculetin SCHEMBL6839210 0.84 MCL1 (0.96) ALDH1A1KDM4EHPGDHSD17B10MCL1
SCHEMBL24865598 0.84 ALDH1A1 (0.82) ALDH1A1KDM4EHPGDHSD17B10MCL1
4-Methylesculetin SCHEMBL27453331 0.84 ALDH1A1 (0.96) ALDH1A1KDM4EHPGDHSD17B10MCL1
SCHEMBL13058664 0.80 HSD17B3 (0.58) ALDH1A1KDM4EHPGDHSD17B10MCL1
SCHEMBL580500 0.79 MCL1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MCL1
SCHEMBL22031603 0.79 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHSD17B10MCL1
SCHEMBL31357189 0.79 MCL1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MCL1
SCHEMBL2552748 0.79 MCL1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112655854-A Watermelon fermentation functional beverage 国投中鲁果汁股份有限公司 2021-04-16 CN claimed
CN-111248380-A Cucumber fermented carbonated beverage and processing method thereof 国投中鲁果汁股份有限公司 2020-06-09 CN claimed
CN-110839797-A Digestion-aiding potato vinegar beverage and processing method thereof 国投中鲁果汁股份有限公司 2020-02-28 CN claimed
CN-110839798-A Pomegranate fermented functional beverage and preparation method thereof 国投中鲁果汁股份有限公司 2020-02-28 CN claimed
EP-3316910-A1 TRIPLET-TRIPLET ANNIHILATION-BASED UPCONVERSION Children's Medical Center Corporation (US) 2018-05-09 EP claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
WO-2017004310-A1 TRIPLET-TRIPLET ANNIHILATION-BASED UPCONVERSION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-01-05 WO claimed
US-8697109-B2 Caged mercaptan and seleno-mercaptan compounds and methods of using them ENCORE HEALTH, LLC (US) 2014-04-15 US claimed
US-20110178281-A1 Photocleavable Linker Methods and Compositions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-07-21 US claimed
US-7923562-B2 Photocleavable linker methods and compositions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-04-12 US claimed
US-20100022761-A1 PHOTOCLEAVABLE LINKER METHODS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-28 US claimed
US-20060008907-A1 Control of gene expression via light activated RNA interference THE CURATORS OF THE UNIVERSITY OF MISSOURI 2006-01-12 US claimed
US-6703235-B2 ADJUMENT OF SURFACE OF SOLID SUPPORT; OBTAIN SOLID SUPPORT, EXPOSE TO SENSITIZING AGENT AND LIGHT, MONITOR SURFACE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-03-09 US claimed
US-20030013080-A1 Complex multicellular assemblies ex vivo BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-01-16 US claimed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
US-20230014658-A1 COMBINATORIAL PHOTO-CONTROLLED SPATIAL SEQUENCING AND LABELING UNIVERSITY OF WASHINGTON (US) 2023-01-19 US disclosed
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags Roche Sequencing Solutions, Inc. (US) 2022-02-01 US disclosed
US-20020016472-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2002-02-07 US disclosed
EP-1151350-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES The Regents of the University of California (US) 2001-11-07 EP disclosed
WO-2000031588-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-02 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 (4 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-20110178281-A1 Photocleavable Linker Methods and Compositions NSUN2, RNGTT, METTL16 ALDH1A1 1111/4885KDM4E 254/4885HPGD 2016/4885
US-20100022761-A1 PHOTOCLEAVABLE LINKER METHODS AND COMPOSITIONS NSUN2, RNGTT, METTL16 ALDH1A1 1111/4885KDM4E 254/4885HPGD 2016/4885
US-20020016472-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES ERCC4, XPA, GPX4 ALDH1A1 748/4885KDM4E 4063/4885HPGD 328/4885
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags CACYBP, VIP, PTMS ALDH1A1 4869/4885KDM4E 4594/4885HPGD 2921/4885

“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.