SCHEMBL580500

SCHEMBL580500

[CH2]c1cc(=O)oc2cc(O)c(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.46
KDM4E B2RXH2 5/20 0.46
AKR1B1 P15121 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 2/20 0.46
THRB P10828 1/20 0.46
PIM1 P11309 1/20 0.44
KMT2A Q03164 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
GPR35 Q9HC97 2/20 0.40
HTT P42858 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CA1 P00915 1/20 0.40
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
GLA P06280 2/20 0.37

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
SCHEMBL580501 0.79 ALDH1A1 (0.74) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL13058664 0.77 HSD17B3 (0.58) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL30350025 0.77 MCL1 (0.76) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL7462235 0.77 MCL1 (0.76) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL17553159 0.77 MCL1 (0.57) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL7450481 0.76 MCL1 (0.77) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL20602122 0.75 MCL1 (0.44) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL31437397 0.73 MCL1 (0.69) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL17768911 0.72 GPR35 (0.62) MCL1KDM4EAKR1B1ALDH1A1HPGD
SCHEMBL14930073 0.72 HSD17B3 (0.63) MCL1KDM4EAKR1B1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021083459-A1 PROCESS FOR THE SYNTHESIS OF DOPA COMPRISING A PHOTOLABILE PROTECTIVE GROUP, AND INTERMEDIATES FOR THE PREPARATION THEREOF CHIRACON GMBH (DE) 2021-05-06 WO 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
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP 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-11237156-B2 Method and composition for detection of peptide cyclization using protein tags Roche Sequencing Solutions, Inc. (US) 2022-02-01 US disclosed
CN-107835871-B Methods and compositions for peptide cyclization and protease treatment 豪夫迈·罗氏有限公司 2021-07-02 CN disclosed
EP-3497446-B1 METHOD AND COMPOSITION FOR DETECTION OF PEPTIDE CYCLIZATION USING PROTEIN TAGS HOFFMANN LA ROCHE (CH) 2021-04-28 EP disclosed
EP-1151350-A4 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES UNIV CALIFORNIA (US) 2002-08-21 EP 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 MCL1 1793/4885KDM4E 254/4885AKR1B1 2794/4885
US-20100022761-A1 PHOTOCLEAVABLE LINKER METHODS AND COMPOSITIONS NSUN2, RNGTT, METTL16 MCL1 1793/4885KDM4E 254/4885AKR1B1 2794/4885
US-20020016472-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES ERCC4, XPA, GPX4 MCL1 1400/4885KDM4E 4063/4885AKR1B1 2111/4885
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags CACYBP, VIP, PTMS MCL1 1502/4885KDM4E 4594/4885AKR1B1 2948/4885

“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.