SCHEMBL7615528

SCHEMBL7615528

CC(C)OC(=O)c1ccccc1OC(C)C.[Cu]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.64
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 4/20 0.47
ACHE P22303 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
PDK2 Q15119 1/20 0.46
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL2942817 0.98 IRAK4 (0.66) IRAK4NPC1ALDH1A1ACHEIDO1
SCHEMBL11465655 0.96 IRAK4 (0.64) IRAK4NPC1ALDH1A1ACHEIDO1
SCHEMBL6014143 0.96 IRAK4 (0.64) IRAK4NPC1ALDH1A1ACHEIDO1
SCHEMBL1033621 0.96 IRAK4 (0.64) IRAK4NPC1ALDH1A1ACHEIDO1
SCHEMBL27958806 0.85 IRAK4 (0.68) IRAK4NPC1ALDH1A1ACHEIDO1
SCHEMBL1071954 0.84 HPGD (0.58) NPC1ALDH1A1KCNK3KCNK9HPGD
SCHEMBL4036585 0.84 IRAK4 (0.66) IRAK4ALDH1A1ACHEIDO1TDO2
SCHEMBL30628008 0.83 HPGD (0.59) IRAK4NPC1ALDH1A1IDO1TDO2
SCHEMBL28073864 0.83 HPGD (0.59) IRAK4NPC1ALDH1A1IDO1TDO2
SCHEMBL15814203 0.83 IRAK4 (0.51) IRAK4NPC1ALDH1A1ACHEIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816324-B1 Subsituted benzyl derivatives of polyalkylene-polyamines and their use in cosmetic and pharmaceutical compositions OREAL (FR) 2000-02-16 EP claimed
US-5910513-A PROTECTING THE BODY AGAINST OXIDATIVE STRESS SUCH AS NEURODEGENERATIVE DISEASES, PARKINSON'S DISEASE, CHRONIC INFLAMMATORY CONDITIONS, REINFUSION ISCHAEMIA SYNDROME, THE TOXICITY OF CERTAIN DRUGS SUCH AS CERTAIN XENOBIOTICS L'OREAL (FR) 1999-06-08 US claimed
WO-2002102342-A1 NO-SYNTHASE INHIBITOR AND USES THEREOF L'OREAL (FR) 2002-12-27 WO disclosed
US-6482855-B2 OXIDATION RESISTANCE; STRESS RELIEVING L'OREAL S.A. (FR) 2002-11-19 US disclosed
US-20010016592-A1 Novel diamine alkylene diacetic or triacetic acid derivatives, preparation method, use in cosmetic and pharmaceutical compositions and compositions containing them L'OREAL S.A. 2001-08-23 US disclosed
US-6258847-B1 Use of 2-mercaptoethanolamine (2-MEA) and related aminothiol compounds and copper(II)-3,5 di-isopropyl salicylates and related compounds in the prevention and treatment of various diseases CHACHOUA SAMIR (AU) 2001-07-10 US disclosed
US-6218432-B1 FOR PROTECTING BODY AGAINST OXIDATIVE STRESS L'OREAL (FR) 2001-04-17 US disclosed
US-5929112-A USE IN PHARMACEUTICALS OR COSMETICS AS ANTIOXIDANTS, IMPROVED BIOAVAILABILITY L'OREAL (FR) 1999-07-27 US disclosed
US-5910513-A PROTECTING THE BODY AGAINST OXIDATIVE STRESS SUCH AS NEURODEGENERATIVE DISEASES, PARKINSON'S DISEASE, CHRONIC INFLAMMATORY CONDITIONS, REINFUSION ISCHAEMIA SYNDROME, THE TOXICITY OF CERTAIN DRUGS SUCH AS CERTAIN XENOBIOTICS L'OREAL (FR) 1999-06-08 US disclosed
EP-0858327-A2 USE OF 2-MERCAPTOETHANOLAMINE (2-MEA) AND RELATED AMINOTHIOL COMPOUNDS AND COPPER(II)-3,5 DI-ISOPROPYL SALICYLATES AND RELATED COMPOUNDS IN THE PREVENTION AND TREATMENT OF VARIOUS DISEASES Chachoua, Samir (AU) 1998-08-19 EP disclosed
US-5760037-A SKIN AGING, RADIATION AND OXIDATION RESISTANCE; FREE RADICALSCAVENGERS L'OREAL (FR) 1998-06-02 US disclosed
WO-1997011666-A2 USE OF 2-MERCAPTOETHANOLAMINE (2-MEA) AND RELATED AMINOTHIOL COMPOUNDS AND COPPER(II)-3,5 DI-ISOPROPYL SALICYLATES AND RELATED COMPOUNDS IN THE PREVENTION AND TREATMENT OF VARIOUS DISEASES CHACHOUA SAMIR (MX) 1997-04-03 WO 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-20010016592-A1 Novel diamine alkylene diacetic or triacetic acid derivatives, preparation method, use in cosmetic and pharmaceutical compositions and compositions containing them DDC, AADAC, AADAT IRAK4 4092/4885NPC1 2932/4885ALDH1A1 100/4885

“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.