SCHEMBL1960653

SCHEMBL1960653

CC(C)(C)OC(=O)n1cccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
BCHE P06276 1/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
BUB1 O43683 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
TNK2 Q07912 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19128661 0.85 HSP90AA1 (0.43) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL8315409 0.81 TRIM24 (0.47) BCHETRIM24TRIM33ALDH1A1L3MBTL1
SCHEMBL28274140 0.80 BCHE (0.41) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL17447201 0.79 HSP90AA1 (0.39) HSP90AA1HSP90AB1BCHEBUB1ALDH1A1
SCHEMBL8377839 0.78 ALDH1A1 (0.45) BCHETRIM24TRIM33ALDH1A1GAA
SCHEMBL163016 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL15417736 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL4916320 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL16881172 0.76 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL24914436 0.76 HSP90AA1 (0.52) HSP90AA1HSP90AB1BCHEBUB1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112239468-B Metal-free solvent-free synthesis of fused pyridine heterocycles and biomedical applications thereof 印多尔印度理工学院 2025-05-27 CN disclosed
WO-2024010732-A1 SMALL MOLECULE INHIBITORS OF GLUTAMINE TRANSPORTER ASCT2 AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-01-11 WO disclosed
WO-2023238683-A1 NOVEL HETEROCYCLIC COMPOUND AND SALT THEREOF, AND LUMINESCENT SUBSTRATE COMPOSITION 国立大学法人電気通信大学 2023-12-14 WO disclosed
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
EP-3765454-B1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIV DEGLI STUDI DI SIENA (IT) 2023-11-08 EP disclosed
EP-3512858-B1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-11-08 EP disclosed
US-20230279019-A1 BENZONORBORNADIENE DERIVATIVES AND REACTIONS THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION 2023-09-07 US disclosed
CN-109422755-B Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2023-07-04 CN disclosed
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application Shanghai Pharmaceuticals Holding Cd., Ltd. (CN) 2023-02-14 US disclosed
US-11560384-B2 Benzonorbornadiene derivatives and reactions thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2023-01-24 US disclosed
US-6504034-B2 Cell antiproliferative agents; anticancer agents HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020147343-A1 Naphthostyrils CHEN YI (US) 2002-10-10 US disclosed
WO-2002059109-A2 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN- DEPENDENT KINASES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO disclosed
US-6191145-B1 ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-02-20 US disclosed
US-6066651-A ANTITHROMBOTIC AGENTS BY VIRTUE OF THEIR ABILITY TO PREVENT PLATELET AGGREGATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-05-23 US disclosed
US-5891877-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR XENOVA LIMITED (GB) 1999-04-06 US disclosed
EP-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 EP disclosed
US-5567726-A SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE-LIKE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS MERCK, SHARP & DOHME LTD. (GB) 1996-10-22 US disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO disclosed
WO-1994002477-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 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 (5 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-11814366-B2 Antiviral compounds and use thereof MAVS, EIF2AK2, SARS1 HSP90AA1 1369/4885HSP90AB1 1324/4885BCHE 2325/4885
US-20020147343-A1 Naphthostyrils CCNI, CDKL1, CDK2 HSP90AA1 2543/4885HSP90AB1 2505/4885BCHE 3532/4885
US-20230279019-A1 BENZONORBORNADIENE DERIVATIVES AND REACTIONS THEREOF CBR3, CBR1, CNR1 HSP90AA1 3859/4885HSP90AB1 3403/4885BCHE 1299/4885
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application ERBB2, EGFR, ERBB4 HSP90AA1 2346/4885HSP90AB1 1692/4885BCHE 2407/4885
US-11560384-B2 Benzonorbornadiene derivatives and reactions thereof CBR3, CBR1, CNR1 HSP90AA1 3979/4885HSP90AB1 3582/4885BCHE 1036/4885

“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.