SCHEMBL2399172

SCHEMBL2399172

CC(C)Cc1cccc(N)c1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
PARP1 P09874 1/20 0.39
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.36
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A2 P23975 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL2743774 0.84 GABRA1 (0.62) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL16101465 0.81 GABRA1 (0.54) GABRA1GABRB2PARP1CYP3A4TSHR
SCHEMBL270111 0.80 GABRA1 (0.52) GABRA1GABRB2PARP1CYP3A4SLC6A2
SCHEMBL1225271 0.80 GABRA1 (0.39) GABRA1GABRB2PARP1CYP3A4TSHR
Hydrochloric Acid SCHEMBL28797189 0.79 GABRA1 (0.52) GABRA1GABRB2PARP1CYP3A4TSHR
SCHEMBL28528612 0.78 GABRA1 (0.56) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL3960659 0.78 GABRA1 (0.60) GABRA1GABRB2PARP1ESR1KCNH2
SCHEMBL23750089 0.78 GABRA1 (0.50) GABRA1GABRB2PARP1CYP3A4TSHR
SCHEMBL5439987 0.78 GABRA1 (0.73) GABRA1GABRB2PARP1CYP3A4TSHR
SCHEMBL19841508 0.78 ALDH1A1 (0.52) GABRA1GABRB2PARP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119931728-A High-octane gasoline antiknock agent 山东信手天来生物科技有限公司 2025-05-06 CN claimed
CN-119931728-A High-octane gasoline antiknock agent 山东信手天来生物科技有限公司 2025-05-06 CN disclosed
CN-119931728-A High-octane gasoline antiknock agent 山东信手天来生物科技有限公司 2025-05-06 CN disclosed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-9435032-B2 Method for forming patterned conductive film JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-09-06 US disclosed
US-9090527-B2 Method for producing transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing substituted cyclopentadiene compound (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-28 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
WO-2001051526-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
EP-0492473-A1 Process for the preparation of 4-substituted 2,6-dialkylanilines LONZA AG (CH) 1992-07-01 EP disclosed
US-4985159-A Alkenylated toluenediamines as antioxidants for organic materials AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-01-15 US disclosed
EP-0272651-A2 N-tert-butyl derivatives of toluenediamine and mixtures as antioxidant for organic materials AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-06-29 EP disclosed
EP-0270031-A2 Tertiary butyl derivatives of toluenediamine and mixtures as antioxidant for organic materials AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-06-08 EP disclosed
US-4711737-A FOR HYDROCARBON OILS, RUBBER AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-12-08 US disclosed
US-4693837-A Tertiary butyl derivatives of toluenediamine and mixtures as antioxidant for organic materials AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-09-15 US 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 (3 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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 GABRA1 3678/4885GABRB2 4453/4885PARP1 2719/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 GABRA1 3610/4885GABRB2 4216/4885PARP1 2220/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 GABRA1 3694/4885GABRB2 4219/4885PARP1 1704/4885

“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.