Isobutylbenzene

Isobutylbenzene

SCHEMBL57393

CC(C)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.64
TAAR1 Q96RJ0 4/20 0.64
SLC6A2 P23975 3/20 0.64
SLC6A4 P31645 2/20 0.64
SLC6A3 Q01959 2/20 0.64
MAOA P21397 1/20 0.64
CYP2A6 P11509 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
SLC18A2 Q05940 1/20 0.58
CYP2D6 P10635 1/20 0.58
TRPA1 O75762 2/20 0.56
EPHX1 P07099 1/20 0.55
HTR2A P28223 2/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRK1 P41145 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 1/20 0.50

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
Isobutylbenzene SCHEMBL2571645 1.00 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL7493657 1.00 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL1894392 0.97 SIGMAR1 (0.61) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL31498540 0.97 SIGMAR1 (0.61) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL11468970 0.97 TAAR1 (0.61) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL363626 0.97 TAAR1 (0.61) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL31284788 0.97 SIGMAR1 (0.61) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL6891614 0.97 SIGMAR1 (0.61) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL113603 0.95 TAAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL28713589 0.95 SIGMAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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

Appears in 11359 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138937-A1 CONTINUOUS PRODUCTION METHOD AND CONTINUOUS PRODUCTION DEVICE OF ISOBUTYLBENZENE QINGDAO UNIV OF SCIENCE AND TECHNOLOGY (CN) 2026-05-21 US claimed
CN-122036463-A Method for preparing phenolic compound from alkylbenzene 中国科学院大连化学物理研究所 2026-05-15 CN claimed
CN-122010664-A Preparation method of isobutylbenzene 中国石油化工股份有限公司 2026-05-12 CN claimed
CN-122010914-A Quinazoline-coumarin compound and preparation method and application thereof 郑州大学 2026-05-12 CN claimed
US-12606511-B2 Processes for the acylation of an aromatic compound UNIVERSITY OF KANSAS (US) 2026-04-21 US claimed
US-20260092228-A1 COMPOSITIONS FOR FUEL BLENDING MADE BY A SUSTAINABLE PROCESS, AND SUSTAINABLE FUEL COMPOSITIONS THEREFROM VISOLIS INC (US) 2026-04-02 US claimed
US-20260062291-A1 MASS PRODUCTION METHOD FOR HIGH-PURITY LITHIUM SULFIDE USING INERT GAS BUBBLING LAKE TECHNOLOGY., LTD (KR) 2026-03-05 US claimed
US-20260062292-A1 MASS PRODUCTION METHOD FOR HIGH-PURITY LITHIUM SULFIDE USING HIGH SPEED STIRRING LAKE TECHNOLOGY., LTD (KR) 2026-03-05 US claimed
US-20260062293-A1 MASS PRODUCTION METHOD FOR HIGH-PURITY LITHIUM SULFIDE USING INLINE-MIXER LAKE TECHNOLOGY., LTD (KR) 2026-03-05 US claimed
US-20250382251-A1 ALDEHYDE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-12-18 US claimed
US-4072194-A CURING, AROMATIC DILUENTS, WELL BORES HALLIBURTON COMPANY (US) 1978-02-07 US claimed
US-4070364-A Process for the production of [2-acetoacetyl-aminothiazolyl-(4)-]-acetic acid ethyl ester LONZA, LTD. (CH) 1978-01-24 US claimed
US-4039793-A PRODUCTION OF MONOCHLORO- AND ARYL SUBSTITUTED SATURATED COMPOUNDS UOP INC. (US) 1977-08-02 US claimed
US-4028066-A PETROLEUM DISTILLATES AND BUTYLBENZENE USED AS FUELS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1977-06-07 US claimed
US-4020102-A FROM SODIUM B-NAPHTHOLATE AND CARBON DIOXIDE BASF AKTIENGESELLSCHAFT (DT) 1977-04-26 US claimed
US-3969420-A Process for recovering resorcinol and hydroquinone in mixture SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-13 US claimed
US-3960801-A SEALING OF SUBTERREAN ZONE, CURING HALLIBURTON COMPANY (US) 1976-06-01 US claimed
US-3959226-A ISOMERIZATION; FRIEDEL-CRAFTS CATALYST UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-05-25 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US claimed
US-3952037-A Aluminum catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 US claimed