Isobutylbenzene

Isobutylbenzene

SCHEMBL363626

CC(C)Cc1ccccc1.OO

nearest known ligand 0.94

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.61
SLC6A2 P23975 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
MAOA P21397 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
CYP2A6 P11509 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
TRPA1 O75762 2/20 0.60
SLC18A2 Q05940 1/20 0.56
CYP2D6 P10635 1/20 0.56
PTGS1 P23219 3/20 0.54
PTGS2 P35354 3/20 0.54
LMNA P02545 2/20 0.54
CYP2C9 P11712 2/20 0.54
AKR1C3 P42330 2/20 0.54
CXCR1 P25024 2/20 0.54
CXCR2 P25025 2/20 0.54
ALB P02768 1/20 0.54

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 SCHEMBL113603 0.97 TAAR1 (0.58) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL7493657 0.97 SIGMAR1 (0.64) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL2571645 0.97 SIGMAR1 (0.64) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL57393 0.97 SIGMAR1 (0.64) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL31498540 0.94 SIGMAR1 (0.61) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL6891614 0.94 SIGMAR1 (0.61) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL11468970 0.94 TAAR1 (0.61) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL31284788 0.94 SIGMAR1 (0.61) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL1894392 0.94 SIGMAR1 (0.61) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL6771248 0.93 TAAR1 (0.54) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132551-A1 SAND FOR DIAGNOSING STATE OF ANIMAL URINE, METHOD FOR MANUFACTURING SAME, AND URINE STATE DIAGNOSIS METHOD USING SAME 주식회사 퓨쳐바이오웍스 2023-07-13 WO claimed
EP-3237365-B1 CYCLOALKANE OXIDATION CATALYSTS AND METHOD TO PRODUCE ALCOHOLS AND KETONES RHODIA OPERATIONS (FR) 2018-11-28 EP claimed
CN-105339332-B Cycloalkanes oxidation catalyst and the method for production alcohol and ketone 罗地亚经营管理公司 2018-04-10 CN claimed
EP-2877439-B1 CYCLOALKANE OXIDATION CATALYSTS AND METHOD TO PRODUCE ALCOHOLS AND KETONES RHODIA OPERATIONS (FR) 2018-02-14 EP claimed
US-20170349524-A1 Cycloalkane oxidation catalysts and method to produce alcohols and ketones BASF SE (DE) 2017-12-07 US claimed
EP-3237365-A1 CYCLOALKANE OXIDATION CATALYSTS AND METHOD TO PRODUCE ALCOHOLS AND KETONES Rhodia Operations (FR) 2017-11-01 EP claimed
US-9745239-B2 Cycloalkane oxidation catalysts and method to produce alcohols and ketones RHODIA OPERATIONS (FR) 2017-08-29 US claimed
CN-107108414-A Cycloalkane oxidation catalyst and process for producing alcohol and ketone 罗地亚经营管理公司 2017-08-29 CN claimed
US-9708238-B2 Cycloalkane oxidation catalysts and method to produce alcohols and ketones RHODIA OPERATIONS (FR) 2017-07-18 US claimed
EP-2986585-B1 CYCLOALKANE OXIDATION CATALYSTS AND METHOD TO PRODUCE ALCOHOLS AND KETONES RHODIA OPERATIONS (FR) 2017-06-21 EP claimed
CN-1639064-A Titanosilicate, process for its production, and its use in producing oxidized compound SHOWA DENKO KK (JP) 2005-07-13 CN claimed
EP-1490300-A1 TITANOSILICATE, PROCESS FOR ITS PRODUCTION, AND ITS USE IN PRODUCING OXIDIZED COMPOUND Showa Denko K.K. (JP) 2004-12-29 EP claimed
US-6759540-B2 FOR USE AS OXIDATION CATALYST IN OXIDATION REACTION OF A COMPOUND HAVING A CARBON-CARBON DOUBLE BOND AND A OTHER FUNCTIONAL GROUP WHEREIN THE CARBON-CARBON DOUBLE BOND OF COMPOUND IS OXIDIZED BY USING A PEROXIDE AS AN OXIDIZING AGENT SHOWA DENKO K.K. (JP) 2004-07-06 US claimed
US-20040122243-A1 Process for oxidizing carbon-carbon double bond and process for producing oxidized compounds SHOWA DENKO K.K. (JP) 2004-06-24 US claimed
CN-1466545-A Crystalline MWW-type titanosilicates, their preparation and use in the production of epoxy compounds �Ѻ͵繤��ʽ���� 2004-01-07 CN claimed
US-6646102-B2 Epoxidizing an alpha - halohydrin intermediate produced from a halide substitution of an alpha -dihydroxy derivative which has been obtained by a dihydroxylation reaction of an aryl allyl ether, oxidation catalysts DOW GLOBAL TECHNOLOGIES INC. 2003-11-11 US claimed
WO-2003074421-A1 TITANOSILICATE, PROCESS FOR ITS PRODUCTION, AND ITS USE IN PRODUCING OXIDIZED COMPOUND SHOWA DENKO K. K. (JP) 2003-09-12 WO claimed
US-20030105268-A1 Process for manufacturing an alpha-dihydroxy derivative and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2003-06-05 US claimed
US-6500955-B1 CONDENSING A HALO- QUINOLINE WITH AN ALPHA-PICOLYL DERIVATIVES IN THE PRESENCE OF A SOLVENT AND A PHASE TRANSFER CATALYST AT -10 TO 90 DEGREE C. TO FORM (2,8-BIS (TRIFLUOROMETHYL)-4-QUINOLINYL)-2-PYRIDINYLMETHANONE NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2002-12-31 US claimed
US-20020188129-A1 ONE POT SYNTHESIS OF [2, 8-BIS (TRIFLUOROMETHYL)-4- QUINOLINYL]2-PYRIDINYLMETHANONE, A MEFLOQUINE INTERMEDIATE NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2002-12-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020188129-A1 ONE POT SYNTHESIS OF [2, 8-BIS (TRIFLUOROMETHYL)-4- QUINOLINYL]2-PYRIDINYLMETHANONE, A MEFLOQUINE INTERMEDIATE EIF2AK2, POLK, QARS1 TAAR1 3976/4885SLC6A2 1668/4885SIGMAR1 1733/4885

“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.