Isobutylbenzene

Isobutylbenzene

SCHEMBL113603

CC(C)Cc1ccccc1.CO

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
SIGMAR1 Q99720 3/20 0.58
SLC6A2 P23975 2/20 0.58
MAOA P21397 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CYP2A6 P11509 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
TRPA1 O75762 2/20 0.58
SLC18A2 Q05940 1/20 0.54
CYP2D6 P10635 1/20 0.54
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
LMNA P02545 2/20 0.52
CYP2C9 P11712 2/20 0.52
AKR1C3 P42330 2/20 0.52
CXCR1 P25024 2/20 0.52
CXCR2 P25025 2/20 0.52
ALB P02768 1/20 0.52

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 SCHEMBL363626 0.97 TAAR1 (0.61) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL7493657 0.95 SIGMAR1 (0.64) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL2571645 0.95 SIGMAR1 (0.64) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL57393 0.95 SIGMAR1 (0.64) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL6891614 0.92 SIGMAR1 (0.61) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL11468970 0.92 TAAR1 (0.61) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL31284788 0.92 SIGMAR1 (0.61) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL31498540 0.92 SIGMAR1 (0.61) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL27677126 0.92 SIGMAR1 (0.61) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Isobutylbenzene SCHEMBL1894392 0.92 SIGMAR1 (0.61) TAAR1SIGMAR1SLC6A2MAOASLC6A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
EP-2966158-B2 Isomers mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2024-03-13 EP disclosed
US-20210395640-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2021-12-23 US disclosed
EP-3898910-A1 ALICYCLIC MUSK FRAGRANCE COMPOUNDS Symrise AG (DE) 2021-10-27 EP disclosed
WO-2020125993-A1 ALICYCLIC MUSK FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2020-06-25 WO disclosed
EP-3167031-A1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2017-05-17 EP disclosed
US-9340751-B2 Use of specific compounds for modifying odors SYMRISE AG (DE) 2016-05-17 US disclosed
WO-2016005361-A1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS SYMRISE AG (DE) 2016-01-14 WO disclosed
CN-103459359-A Polyols and their use in hydrocarbon lubricating and drilling fluids LORD CORP 2013-12-18 CN disclosed
US-20130303432-A1 Use Of Specific Compounds For Modifying Odors SYMRISE AG (DE) 2013-11-14 US disclosed
EP-2424829-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR Symrise AG (DE) 2012-03-07 EP disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
CN-101384531-A Liquid-crystalline styryl derivative, process for producing the same, and liquid-crystalline semiconductor element employing the same UNIV YAMANASHI (JP) 2009-03-11 CN disclosed
CN-1238363-C Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL (JP) 2006-01-25 CN disclosed
CN-1492873-A Glucopyranosyloxypyrazole derivatives and their use in medicaments ����ҩƷ��ҵ��ʽ���� 2004-04-28 CN disclosed
CN-1145635-C Glucopyranosyloxypyrazole derivatives, pharmaceutical compositions containing the same and intermediates in their preparation ����ҩƷ��ҵ��ʽ���� 2004-04-14 CN disclosed
CN-1377363-A Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL (JP) 2002-10-30 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 (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-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D TAAR1 883/4885SIGMAR1 276/4885SLC6A2 4862/4885

“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.