SCHEMBL4575902

SCHEMBL4575902

CC(=O)c1ccccc1C(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
GAA P10253 1/20 0.37
PBRM1 Q86U86 1/20 0.37
MEN1 O00255 1/20 0.37
NSD2 O96028 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL6858557 0.84 ELANE (0.46) PDK2PDK1PDK3PDK4ALDH1A1
SCHEMBL360806 0.84 ALDH1A1 (0.48) PDK2PDK1PDK3PDK4ALDH1A1
SCHEMBL4850365 0.83 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2AKR1C3
SCHEMBL29699699 0.83 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2AKR1C3
SCHEMBL9675552 0.82 PDK1 (0.41) PDK2PDK1PDK3PDK4ALDH1A1
SCHEMBL8879432 0.81 ALDH1A1 (0.52) ALDH1A1LMNAKDM4ESMN1; SMN2AKR1C3
SCHEMBL28004742 0.81 KDM4E (0.48) ALDH1A1KDM4ECYP3A4CYP2C19GAA
SCHEMBL28516565 0.81 HSD11B1 (0.41) ALDH1A1LMNAKDM4ECYP3A4CYP2C19
SCHEMBL15834065 0.81 PDK2 (0.40) PDK2PDK1PDK3PDK4ALDH1A1
SCHEMBL23412079 0.80 PDK2 (0.41) PDK2PDK1PDK3PDK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950431-A EXTRACTION WITH A SOLUTION OF AN ALCOHOL AND SODIUM HYDROXIDE OR SODIUM CARBONATE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 US claimed
CN-115583904-B Treatment method and recycling method of m-diisopropylbenzene reduction mother liquor 中国石油化工股份有限公司 2024-05-28 CN disclosed
CN-115403446-B Synthesis method of alpha, alpha' -dihydroxyl-1, 3-diisopropylbenzene 山东阳谷华泰化工股份有限公司 2023-12-29 CN disclosed
CN-115583904-A Treatment method and recycling method of m-diisopropylbenzene reduction mother liquor 中国石油化工股份有限公司 2023-01-10 CN disclosed
CN-115403446-A Synthetic method of alpha, alpha' -dihydroxy-1, 3-diisopropylbenzene 山东阳谷华泰化工股份有限公司 2022-11-29 CN disclosed
CN-107924123-B Material for lithography, method for producing same, composition for lithography, method for forming pattern, compound, resin, and method for purifying same 学校法人关西大学 2021-08-06 CN disclosed
CN-107428717-B Resist composition, resist pattern forming method, and polyphenol compound used for same 三菱瓦斯化学株式会社 2021-04-23 CN disclosed
CN-109073782-A Optical element forms composition and its solidfied material 三菱瓦斯化学株式会社 2018-12-21 CN disclosed
CN-103159585-A Method for removing acetyl dimethyl-benzyl alcohol from diisopropylbenzene CHINA PETROCHEMICAL CORP 2013-06-19 CN disclosed
CN-103159592-A Production method for bis-(2-hydroxyl isopropyl)benzene CHINA PETROCHEMICAL CORP 2013-06-19 CN disclosed
CN-103159585-A Method for removing acetyl dimethyl-benzyl alcohol from diisopropylbenzene CHINA PETROCHEMICAL CORP 2013-06-19 CN disclosed
US-7468412-B2 Method and composition for the suppression of bloom in peroxide crosslinked polymeric articles GEO SPECIALTY CHEMICALS, INC. (US) 2008-12-23 US disclosed
US-20070078208-A1 METHOD AND COMPOSITION FOR THE SUPPRESSION OF BLOOM IN PEROXIDE CROSSLINKED POLYMERIC ARTICLES GEO SPECIALTY CHEMICALS, INC. (US) 2007-04-05 US disclosed
US-3950431-A EXTRACTION WITH A SOLUTION OF AN ALCOHOL AND SODIUM HYDROXIDE OR SODIUM CARBONATE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 US disclosed