SCHEMBL977774

SCHEMBL977774

O=Cc1ccc2cc(C=O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.54
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PTGS2 P35354 1/20 0.52
TSHR P16473 1/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
RELA Q04206 1/20 0.42

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
SCHEMBL29617405 0.94 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL29617404 0.94 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL30972495 0.94 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL9883838 0.94 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL19182196 0.94 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL1487663 0.91 CYP2A6 (0.52) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL29433921 0.91 CYP2A6 (0.52) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
2-Naphthaldehyde SCHEMBL51340 0.89 RELA (0.58) CYP2A6ALDH1A1RAB9AKDM4ERELA
2-Naphthaldehyde SCHEMBL30229844 0.89 RELA (0.58) CYP2A6ALDH1A1RAB9AKDM4ERELA
2-Naphthaldehyde SCHEMBL27347080 0.89 RELA (0.58) CYP2A6ALDH1A1RAB9AKDM4ERELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874869-B Flame-retardant polystyrene heat-insulating plate and preparation process thereof 江西省仁轩梦消防科技有限公司 2025-03-04 CN claimed
CN-118637666-A Loose lithium-extracting electrode material and preparation method and application thereof 广东邦普循环科技有限公司 2024-09-13 CN claimed
CN-118359779-A Sp derived from carbonyl monomer2Carbon conjugated polymer and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-07-19 CN claimed
CN-118311127-A Preparation method and mass spectrum imaging application of potential-driven COF self-assembly modified nano substrate 华南农业大学 2024-07-09 CN claimed
CN-118290345-A Preparation method and application of hydantoin dimer and derivatives thereof 苏州大学 2024-07-05 CN claimed
CN-118156119-A Functionalized ITO chip material and application thereof in mass spectrum 华南农业大学 2024-06-07 CN claimed
CN-118047959-A Polyethylene glycol hydrogel material and preparation method and application thereof 华东理工大学 2024-05-17 CN claimed
CN-117717902-A Preparation method and application of covalent organic framework nanofiltration membrane 天津大学 2024-03-19 CN claimed
CN-117624626-A COF material capable of efficiently killing germs and preparation method 西北工业大学 2024-03-01 CN claimed
CN-116874869-A Flame-retardant polystyrene heat-insulating plate and preparation process thereof 江西省仁轩梦消防科技有限公司 2023-10-13 CN claimed
EP-1112174-B1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME DU PONT (US) 2009-07-01 EP claimed
CN-101006007-A Processes for producing monolithic porous carbon disks from aromatic organic precursors JING WANG (US) 2007-07-25 CN claimed
EP-1789364-A1 PROCESSES FOR PRODUCING MONOLITHIC POROUS CARBON DISKS FROM AROMATIC ORGANIC PRECURSORS Wang, Jing (US) 2007-05-30 EP claimed
WO-2006023419-A1 PROCESSES FOR PRODUCING MONOLITHIC POROUS CARBON DISKS FROM AROMATIC ORGANIC PRECURSORS WANG JING (US) 2006-03-02 WO claimed
US-20060033226-A1 Processes for producing monolithic porous carbon disks from aromatic organic precursors ELECTROMATERIALS, INC. 2006-02-16 US claimed
US-20060033225-A1 pyrolyzing the consolidated disks which contains polyimide and polybenzimidazole powder, in an inert atmosphere or carbon dioxide to form a monolithic porous carbon doped with metals; low cost production; high surface area, high pore volume, high surface activity, good mechanical properties ELECTROMATERIALS, INC. 2006-02-16 US claimed
EP-1112174-A4 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME DU PONT (US) 2002-05-22 EP claimed
EP-1112174-A1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-07-04 EP claimed
US-6063464-A HEATING WITH CATALYST; ISOSORBIDE IS A RENEWABLE MONOMER HNA HOLDINGS, INC. (US) 2000-05-16 US claimed
WO-1999054119-A1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-28 WO claimed