SCHEMBL366710

SCHEMBL366710

Cc1cc(C)c([Mg]Br)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 8/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30

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
SCHEMBL818424 0.75 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL28040387 0.73 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL4246204 0.71 CYP3A4 (0.35) TSHR
SCHEMBL1109762 0.71 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL1314638 0.71 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL126988 0.71 CYP2A6 (0.43) ALDH1A1CYP1A2CYP2A6TSHRTDP1
SCHEMBL28591028 0.70 ALDH1A1 (0.56) RAPGEF4ALDH1A1TSHRTDP1
SCHEMBL26597005 0.67 RAPGEF4 (0.36) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL63955 0.67 ALDH1A1 (0.45) ALDH1A1TSHRCA1CA2
SCHEMBL1021714 0.65 TDP1 (0.42) RAPGEF4ALDH1A1CYP1A2CYP2A6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
CN-120040480-A Diboron fluorescent dye and preparation method and application thereof 广东工业大学 2025-05-27 CN claimed
CN-119859156-A Boron-nitrogen organic compound, preparation method and application thereof, composition and photoelectric device 广东聚华印刷显示技术有限公司 2025-04-22 CN claimed
CN-115960123-B Boron hybrid molecular carbon compound with near infrared absorption and preparation method and application thereof 吉林大学 2025-01-03 CN claimed
CN-118255643-A Condensed ring type organic diradical compound and preparation method and application thereof 湖南大学 2024-06-28 CN claimed
CN-114957303-B Boron-nitrogen doped polycyclic conjugated aromatic hydrocarbon embedded with indole unit, and synthetic method and application thereof 天津理工大学 2024-05-14 CN claimed
CN-117466925-A Boron-nitrogen doped conjugated polycyclic aromatic hydrocarbon compound and synthetic method and application thereof 山东大学深圳研究院 2024-01-30 CN claimed
CN-116640160-A Boron-sulfur doped condensed ring aromatic hydrocarbon containing pyrrole ring, and synthetic method and application thereof 天津理工大学 2023-08-25 CN claimed
CN-114249759-B Boron-doped Z-acene derivative and preparation method and application thereof 吉林大学 2023-06-30 CN claimed
CN-114276371-A Boron-oxygen doped fused ring aromatic hydrocarbon containing pyrrole ring and synthesis method and application thereof 天津理工大学 2022-04-05 CN claimed
JP-2005528450-A 2005-09-22 JP claimed
EP-1509484-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP Assets B.V. (NL) 2005-03-02 EP claimed
WO-2003102202-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-12-11 WO claimed
EP-0977739-B1 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORP (US) 2003-10-29 EP claimed
US-6608212-B1 Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene PFIZER, INC. 2003-08-19 US claimed
US-6369265-B1 HETEROCOUPLING REACTION, MIXING IN A LIQUID AN ARYL HALIDE, BONDING TO AROMATIC RINGS, GRIGNARD REACTION, METAL COMPOUND AND HETEROCYCLIC CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION 2002-04-09 US claimed
WO-2001066248-A2 C-C AND C-N COUPLING CATALYST COMPRISING TRANSITION METAL AND CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION (US) 2001-09-13 WO claimed
EP-0977739-A1 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2000-02-09 EP claimed
US-5998620-A Synthesis of intermediates useful in preparing tricyclic compounds SCHERING CORPORATION (US) 1999-12-07 US claimed
WO-1998042676-A1 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 1998-10-01 WO claimed