SCHEMBL565578

SCHEMBL565578

CC(C)c1ccc(C(C)(C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.57
HIF1A Q16665 2/20 0.57
CYP2D6 P10635 1/20 0.57
PTPN5 P54829 1/20 0.44
OPRD1 P41143 1/20 0.42
TYR P14679 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 1/20 0.39
PDE2A O00408 2/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35

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
Hydrogen Peroxide SCHEMBL28402319 0.98 CYP2C9 (0.61) CYP2C9HIF1ACYP2D6PTPN5OPRD1
SCHEMBL9175432 0.93 PTPN5 (0.53) CYP2C9HIF1ACYP2D6PTPN5OPRD1
Isopropylbenzene SCHEMBL2307827 0.84 CYP2D6 (0.47) CYP2C9HIF1ACYP2D6PTPN5OPRD1
SCHEMBL31201776 0.83 PTPN5 (0.46) CYP2C9HIF1ACYP2D6PTPN5OPRD1
SCHEMBL14230643 0.82 CYP2C9 (0.59) CYP2C9HIF1ACYP2D6PTPN5TYR
SCHEMBL6933846 0.82 OPRD1 (0.43) CYP2C9HIF1ACYP2D6OPRD1TYR
SCHEMBL4830136 0.81 PDE2A (0.59) CYP2C9HIF1ACYP2D6OPRD1MEN1
SCHEMBL4826658 0.81 PDE2A (0.59) CYP2C9HIF1ACYP2D6OPRD1MEN1
SCHEMBL4826652 0.81 PDE2A (0.59) CYP2C9HIF1ACYP2D6OPRD1MEN1
SCHEMBL196799 0.81 MEN1 (0.48) OPRD1TYRMEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1362902-B1 Pressure-sensitive adhesive and surface protecting material NITTO DENKO CORP (JP) 2006-05-31 EP 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
EP-1362902-A1 Pressure-sensitive adhesive and surface protecting material NITTO DENKO CORPORATION (JP) 2003-11-19 EP claimed
JP-54127451-A None JP disclosed
CN-119859118-A Synthesis method of 4- (2-hydroxy-2-propyl) cumene hydroperoxide 中国石油化工股份有限公司 2025-04-22 CN disclosed
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-4136123-A ALKALI METAL SULFONATE DERIVATIVES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-01-23 US disclosed
US-4080386-A OXIDATION OF AN ARYL TERTIARY ALKANE, TREATING RECYCLE STREAM WITH AN ALKALINE EXTRACTANT THE GOODYEAR TIRE & RUBBER CO. (US) 1978-03-21 US disclosed
US-4036890-A HALTING OXIDATION AT SPECIFIC HYDROPEROXIDE CONCENTRATION VEBA-CHEMIE AG (DT) 1977-07-19 US disclosed
US-3944627-A TO ALKYLBENZENES, GROUP 8 METAL SUPPORTED CATALYST SHELL OIL COMPANY (US) 1976-03-16 US 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 (2 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 CYP2C9 35/4885HIF1A 2722/4885CYP2D6 15/4885
US-20050020840-A1 Process for producing alkylene oxide ADH1C, ADH1A, ADH5 CYP2C9 67/4885HIF1A 4197/4885CYP2D6 96/4885

“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.