SCHEMBL3370465

SCHEMBL3370465

CC(C)c1cccc(C(C)(C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MDM4 O15151 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
TYR P14679 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CA5A P35218 1/20 0.46
MDM2 Q00987 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL31095742 1.00 KIF11 (0.46) KIF11HDAC4HDAC8ALDH1A1ALOX12
Hydrogen Peroxide SCHEMBL29420463 0.98 KIF11 (0.49) KIF11HDAC4HDAC8ALDH1A1ALOX12
Hydrogen Peroxide SCHEMBL9060387 0.98 KIF11 (0.49) KIF11HDAC4HDAC8ALDH1A1ALOX12
SCHEMBL6933304 0.85 PNMT (0.38) KIF11HDAC4HDAC8HDAC2PTPN5
SCHEMBL23520737 0.84 PDE2A (0.39) KIF11ALDH1A1KDM4ENLRP3HIF1A
SCHEMBL28827061 0.84 PNMT (0.35) KIF11HDAC4HDAC8ALDH1A1ALOX12
SCHEMBL598661 0.83 KIF11 (0.49) KIF11HDAC4HDAC8ALDH1A1ALOX12
SCHEMBL4981920 0.83 KIF11 (0.49) KIF11HDAC4HDAC8ALDH1A1ALOX12
SCHEMBL16191335 0.83 KIF11 (0.49) KIF11HDAC4HDAC8ALDH1A1ALOX12
SCHEMBL26525123 0.82 PNMT (0.39) KIF11HDAC4HDAC8ALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583906-B Treatment method and recycling method of m-diisopropylbenzene oxidation liquid and production method of resorcinol 中国石油化工股份有限公司 2024-08-30 CN 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 claimed
WO-2024042124-A1 CONTROLLED-RHEOLOGY MIXED-PLASTICS POLYPROPYLENE-BASED BLENDS BOREALIS AG (AT) 2024-02-29 WO claimed
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 claimed
CN-115583906-A Treatment method and recycling method of m-diisopropylbenzene oxidation liquid and production method of resorcinol 中国石油化工股份有限公司 2023-01-10 CN claimed
EP-1654242-B1 PROCESS FOR PRODUCING ALKYLENE OXIDE SHELL INT RESEARCH (NL) 2010-09-08 EP claimed
JP-2007521295-A 2007-08-02 JP claimed
US-7189886-B2 Process for producing alkylbenzene SHELL OIL COMPANY (US) 2007-03-13 US claimed
US-20060189836-A9 Process for producing alkylbenzene MURRAY BRENDAN D 2006-08-24 US claimed
EP-1654242-A2 PROCESS FOR PRODUCING ALKYLENE OXIDE Shell Internationale Research Maatschappij B.V. (NL) 2006-05-10 EP claimed
EP-1644304-A2 PROCESS FOR PRODUCING ALKYLBENZENE SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-04-12 EP claimed
US-20050054890-A1 Process for producing alkylbenzene MURRAY BRENDAN DERMOT (US) 2005-03-10 US claimed
US-20050020840-A1 Process for producing alkylene oxide SHELL OIL COMPANY 2005-01-27 US claimed
WO-2005005350-A2 PROCESS FOR PRODUCING ALKYLBENZENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-01-20 WO claimed
WO-2005005402-A2 PROCESS FOR PRODUCING ALKYLENE OXIDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-01-20 WO claimed
JP-54128537-A None JP disclosed
CN-115583906-B Treatment method and recycling method of m-diisopropylbenzene oxidation liquid and production method of resorcinol 中国石油化工股份有限公司 2024-08-30 CN disclosed
US-4273623-A ACID DECOMPOSITION OF M-DIISOPROPYLBENZENE HYDROPEROXIDE IN INERT SOLVENT IN THE PRESENCE OF AN ACID CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-06-16 US disclosed
US-4192958-A THERMOCRACKING HIGH-BOILING BY-PRODUCTS CONTAINED IN ACID-CLEAVAGE PRODUCT OF M-DIISOPROPYLBENZENE DIHYDROPEROXIDE, AROMATIC KETONE MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1980-03-11 US disclosed
JP-S54128537-A ALPHA,ALPHA-DIMETHYLBENZYL(ALPHA,ALPHA-DIMETHYL-M-ISOPROPYLBENZYL) PEROXIDE, ITS USE AND ITS PREPARATION MITSUI PETROCHEM IND LTD 1979-10-05 JP 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-20050020840-A1 Process for producing alkylene oxide ADH1C, ADH1A, ADH5 KIF11 4480/4885HDAC4 2903/4885HDAC8 3611/4885

“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.