Isopropylbenzene

Isopropylbenzene

SCHEMBL719550

CC(C)c1ccccc1.O=S(=O)(O)O.[NaH]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Isopropylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.41
ADRA2C known ✓ P18825 1/20 0.41
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
GMNN O75496 1/20 0.55
POLB P06746 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
SRC P12931 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 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
Isopropylbenzene SCHEMBL894807 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL27353084 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL8330328 0.95 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL2013493 0.95 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL8330332 0.95 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL8555471 0.91 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL27513961 0.91 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL20448550 0.88 SRC (0.52) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL27343723 0.88 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPTKMT2A
Isopropylbenzene SCHEMBL9047739 0.88 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998859-B2 Surface preparation process for damascene copper deposition ENTHONE INC. (US) 2011-08-16 US claimed
US-20100075496-A1 SURFACE PREPARATION PROCESS FOR DAMASCENE COPPER DEPOSITION ENTHONE INC. (US) 2010-03-25 US claimed
US-7592296-B2 Conveyor track or container lubricant compositions JOHNSONDIVERSEY, INC. (US) 2009-09-22 US claimed
EP-1778825-A1 CONVEYOR TRACK OR CONTAINER LUBRICANT COMPOSITIONS JohnsonDiversey Inc. (US) 2007-05-02 EP claimed
WO-2007002070-A2 ZINC-NICKEL ALLOY ELECTROPLATING SYSTEM PAVCO, INC. (US) 2007-01-04 WO claimed
US-20060283715-A1 ZINC-NICKEL ALLOY ELECTROPLATING SYSTEM PAVCO, INC. 2006-12-21 US claimed
WO-2006017503-A1 CONVEYOR TRACK OR CONTAINER LUBRICANT COMPOSITIONS JOHNSONDIVERSEY, INC. (US) 2006-02-16 WO claimed
US-20060030497-A1 Conveyor track or container lubricant compositions DIVERSEY, INC. (FORMERLY KNOWN AS JOHNSONDIVERSEY, INC.) 2006-02-09 US claimed
US-20250270475-A1 FABRIC AND HOME CARE COMPOSITION COMPRISING SURFACTANT AND A POLYESTER THE PROCTER & GAMBLE COMPANY 2025-08-28 US disclosed
US-12203056-B2 Sulfoperoxycarboxylic acids, their preparation and methods of use as bleaching and antimicrobial agents ECOLAB USA INC. (US) 2025-01-21 US disclosed
US-20240158723-A1 SULFOPEROXYCARBOXYLIC ACIDS, THEIR PREPARATION AND METHODS OF USE AS BLEACHING AND ANTIMICROBIAL AGENTS ECOLAB USA INC. 2024-05-16 US disclosed
EP-4321604-A1 A FABRIC AND HOME CARE COMPOSITION COMPRISING SURFACTANT AND A POLYESTER The Procter & Gamble Company (US) 2024-02-14 EP disclosed
US-11827867-B2 Sulfoperoxycarboxylic acids, their preparation and methods of use as bleaching and antimicrobial agents ECOLAB USA INC. (US) 2023-11-28 US disclosed
CN-113163754-B Stable iodine-containing antimicrobial teat dip compositions 埃科莱布美国股份有限公司 2022-07-26 CN disclosed
WO-1998053036-A1 ALKYLPOLYGLUCOSIDES CONTAINING DISINFECTANT COMPOSITIONS ACTIVE AGAINST PSEUDOMONAS MICROORGANISM NOVAPHARM RESEARCH (AUSTRALIA) PTY. LIMITED (AU) 1998-11-26 WO disclosed
CN-1169749-A Detergent compositions containing enduring perfume PROCTER & GAMBLE (US) 1998-01-07 CN disclosed
WO-1997031094-A1 DETERGENT COMPOSITIONS CONTAINING ENDURING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-08-28 WO disclosed
EP-0787177-A1 DETERGENT COMPOSITIONS CONTAINING ENDURING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-08-06 EP disclosed
WO-1996012786-A1 DETERGENT COMPOSITIONS CONTAINING ENDURING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO disclosed
CN-1038302-A The heavy duty liquid laundry detergents that contains negatively charged ion and nonionogenic tenside, washing assistant and proteolytic enzyme PROCTER & GAMBLE (US) 1989-12-27 CN 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-11827867-B2 Sulfoperoxycarboxylic acids, their preparation and methods of use as bleaching and antimicrobial agents GPX4, PRDX1, PRDX4 ADRA2A 4376/4885ADRA2C 3425/4885ALDH1A1 562/4885
US-12203056-B2 Sulfoperoxycarboxylic acids, their preparation and methods of use as bleaching and antimicrobial agents GPX4, PRDX1, PRDX4 ADRA2A 4376/4885ADRA2C 3425/4885ALDH1A1 562/4885
US-20240158723-A1 SULFOPEROXYCARBOXYLIC ACIDS, THEIR PREPARATION AND METHODS OF USE AS BLEACHING AND ANTIMICROBIAL AGENTS GPX4, PRDX1, PRDX4 ADRA2A 4376/4885ADRA2C 3425/4885ALDH1A1 562/4885

“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.