SCHEMBL416895

SCHEMBL416895

CC(c1ccccc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
RIPK1 Q13546 2/20 0.46
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
SLC6A2 P23975 2/20 0.45
CHRM2 P08172 2/20 0.43
ADRA1A P35348 2/20 0.43
CACNA1F O60840 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
CHRM3 P20309 1/20 0.43
HRH1 P35367 1/20 0.43
OPRK1 P41145 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA2C P18825 2/20 0.43

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
SCHEMBL14431333 1.00 TAAR1 (0.50) TAAR1RIPK1SLC6A4SLC6A3SLC6A2
SCHEMBL18470550 1.00 TAAR1 (0.50) TAAR1RIPK1SLC6A4SLC6A3SLC6A2
SCHEMBL20306752 0.81 RIPK1 (0.45) TAAR1RIPK1SLC6A4SLC6A3CHRM2
SCHEMBL6721099 0.80 LTA4H (0.48) TSHRALOX12MEN1KMT2ALMNA
SCHEMBL11968994 0.79 TAAR1 (0.44) TAAR1RIPK1SLC6A4SLC6A3SLC6A2
SCHEMBL6609543 0.79 RIPK1 (0.43) TAAR1RIPK1SLC6A4SLC6A3CHRM2
SCHEMBL12574668 0.79 SLC6A4 (0.45) TAAR1RIPK1SLC6A4SLC6A3CHRM2
SCHEMBL30923543 0.79 SLC6A4 (0.45) TAAR1RIPK1SLC6A4SLC6A3CHRM2
SCHEMBL1471159 0.79 SLC6A4 (0.45) TAAR1RIPK1SLC6A4SLC6A3CHRM2
Pentorex SCHEMBL160519 0.79 TAAR1 (0.44) TAAR1RIPK1SLC6A4SLC6A3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638545-A Method for preparing tert-butylethylbenzene by alkylation of ethylbenzene and isobutene 中国科学院大连化学物理研究所 2025-03-18 CN claimed
CN-118437399-A Preparation method of molecularly imprinted polymer catalyst for synthesizing p-tert-butylethylbenzene 江苏正丹化学工业股份有限公司 2024-08-06 CN claimed
CN-117964447-A Method for preparing p-tert-butylstyrene 中国石油化工股份有限公司 2024-05-03 CN claimed
CN-117658761-A Dehydrogenation synthesis method and system of tert-butylstyrene 中国石油化工股份有限公司 2024-03-08 CN claimed
CN-115838315-B Process for producing tert-butylethylbenzene by low aromatic alkene ratio and tert-butylethylbenzene 常州瑞华化工工程技术股份有限公司 2023-11-17 CN claimed
WO-2004110966-A1 DEHYDROGENATTION OF ALKYL AROMATIC COMPOUND OVER A GALLIUM-ZINC CATALYST DOW GLOBAL TECHNOLOGIES, INC. (US) 2004-12-23 WO claimed
US-5157184-A Inorganic pyrophosphate-containing catalyst AMOCO CORPORATION (US) 1992-10-20 US claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
US-4982034-A ALKYLATION, OXIDATIVE DEHYDROGENATION, DISTILLATION, EVAPORATION, ADSORPTION AMOCO CORPORATION (US) 1991-01-01 US claimed
US-4843168-A HYDROGENATION CATALYST CONTAINING MAGNESIUM, ALUMINUM AMOCO CORPORATION (US) 1989-06-27 US claimed
EP-0186270-B1 TERTIARY BUTYLSTYRENE RECOVERY EL PASO PRODUCTS COMPANY (A Delaware Corporation) (US) 1988-07-06 EP claimed
EP-0186270-A1 Tertiary butylstyrene recovery EL PASO PRODUCTS COMPANY (A Delaware Corporation) (US) 1986-07-02 EP claimed
US-4543438-A EXTRACTION WITH SULFONAE-WATER MIXTURE EL PASO PRODUCTS COMPANY (US) 1985-09-24 US claimed
JP-60115534-A None JP disclosed
CN-121758238-A Preparation method of p-tert-butylethylbenzene 中国石油化工股份有限公司 2026-03-31 CN disclosed
CN-114591129-B Synthesis method of tert-butylethylbenzene 中国石油化工股份有限公司 2026-02-03 CN disclosed
US-4178327-A FIREPROOFING THE DOW CHEMICAL COMPANY (US) 1979-12-11 US disclosed
US-4148696-A Electrochemical oxidation of activated alkyl aromatic compounds UOP INC. (US) 1979-04-10 US disclosed
US-4133835-A REACTING AN OLEFIN, A HALIDE, AND A HYDROPEROXIDE PENNWALT CORPORATION (US) 1979-01-09 US disclosed
US-4054733-A MOLDING MATERIALS THE DOW CHEMICAL COMPANY (US) 1977-10-18 US disclosed