SCHEMBL53267

SCHEMBL53267

c1ccc(COCOCOCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
IDO1 P14902 1/20 0.52
AGXT P21549 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CA1 P00915 5/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA7 P43166 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TACR1 P25103 2/20 0.45

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
SCHEMBL70291 1.00 TSHR (0.74) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL223907 0.97 TSHR (0.78) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL434644 0.91 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL434643 0.89 TSHR (0.58) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL5353833 0.85 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL4675777 0.85 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL71046 0.85 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL987625 0.85 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL5311581 0.85 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL27380 0.85 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1

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

Appears in 2544 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119899238-A Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-04-29 CN claimed
WO-2025053792-A1 COLLECTIVE SYNTHESIS OF PHANTOMOLIN FAMILY THROUGH TOTAL SYNTHESIS OF THE SESQUITERPENE LACTONE MOLEPHANTIN NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO claimed
EP-3180371-B1 ZIEGLER-NATTA CATALYST FOR HIGH TEMPERATURE POLYMERIZATION NOVA CHEM INT SA (CH) 2024-10-30 EP claimed
CN-118239918-A Preparation method of iridoid compound 山东新时代药业有限公司 2024-06-25 CN claimed
CN-118221628-A Preparation method of iridoid derivative 山东新时代药业有限公司 2024-06-21 CN claimed
EP-3386920-B1 SYNTHESIS OF MAGNESIUM DICHLORIDE SUPPORT FOR THE AST OFF-LINE ZN CATALYST WITH A PLUG FLOW REACTOR (PFR) NOVA CHEM INT SA (CH) 2023-08-09 EP claimed
US-10981939-B2 Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-04-20 US claimed
WO-2020119205-A1 RADIOACTIVE FLUORINE-LABELED LAROTRECTINIB COMPOUND AND PREPARATION METHOD THEREFOR 上海健康医学院 2020-06-18 WO claimed
US-10662202-B2 Synthesis of cephalosporin compounds MERCK SHARP & DOHM CORP. (US) 2020-05-26 US claimed
US-10632099-B2 Non-aromatic difluoro analogues of resorcylic acid lactones UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2020-04-28 US claimed
CN-103189341-A Chiral intermediates useful for the preparation of hydroxyphosphine ligands UNITED PHOSPHORUS LTD 2013-07-03 CN claimed
WO-2012083261-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-06-21 WO claimed
US-8193270-B2 Method of making composites and nanocomposites 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-06-05 US claimed
WO-2012059807-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS UNITED PHOSPHORUS LIMITED (IN) 2012-05-10 WO claimed
CN-101812060-B Simple novel method for preparing high-purity Sprycel, and intermediate compound NANJING CAVENDISH BIOENGINEERING TECHNOLOGY CO LTD 2011-08-17 CN claimed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US claimed
CN-100503608-C Deazapurines and their use EISAI CO LTD (JP) 2009-06-24 CN claimed
US-7449586-B2 Processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US claimed
WO-2006060678-A2 NOVEL PROCESSES FOR THE PREPARATION OF CGRP-RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-08 WO claimed
US-20060122250-A1 Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY 2006-06-08 US claimed