SCHEMBL5550696

SCHEMBL5550696

Cc1cccc(C(C)(C)OO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
ALOX15 P16050 1/20 0.59
ACHE P22303 4/20 0.44
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PARP1 P09874 1/20 0.39
LMNA P02545 2/20 0.39
KIF11 P52732 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
PTPN5 P54829 1/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL2969176 0.87 ALDH1A1 (0.70) ALDH1A1ALOX15ACHECYP3A4MAPK1
SCHEMBL24841066 0.84 ALDH1A1 (0.47) ALDH1A1ALOX15ACHECNR1CNR2
SCHEMBL12032158 0.81 ACHE (0.46) ALDH1A1ALOX15ACHECNR1CNR2
SCHEMBL2969906 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15ACHEKCNH2MAPK1
SCHEMBL7718229 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15ACHELMNAKIF11
SCHEMBL29472192 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15ACHELMNAKIF11
SCHEMBL10929633 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15ACHECYP2C9CYP2C19
SCHEMBL11572922 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15ACHECNR1CNR2
SCHEMBL11427450 0.78 MAPK1 (0.68) ALDH1A1ALOX15ACHECNR1CNR2
SCHEMBL29472201 0.78 ALDH1A1 (0.57) ALDH1A1ALOX15CYP3A4MAPK1

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
JP-54128536-A None JP disclosed
US-12043683-B2 Dental materials based on redox systems with oligomeric cumene hydroperoxide derivatives IVOCLAR VIVADENT AG (LI) 2024-07-23 US disclosed
EP-4094748-B1 DENTAL MATERIALS BASED ON REDOX SYSTEMS WITH OLIGOMERIC CUMOLHYDROPEROXIDE DERIVATIVES IVOCLAR VIVADENT AG (LI) 2023-09-20 EP disclosed
EP-0879224-B2 NOVEL POLY(MONOPEROXYCARBONATES) ARKEMA INC (US) 2013-12-25 EP disclosed
EP-1382596-B1 Novel poly (monoperoxycarbonates) ARKEMA INC (US) 2007-02-14 EP disclosed
EP-1382596-A1 Novel poly (monoperoxycarbonates) Atofina Chemicals, Inc. (US) 2004-01-21 EP disclosed
EP-0879224-B1 NOVEL POLY(MONOPEROXYCARBONATES) ATOFINA CHEM INC (US) 2003-10-22 EP disclosed
EP-0879224-A4 NOVEL POLY(MONOPEROXYCARBONATES) ATOCHEM NORTH AMERICA ELF (US) 1999-05-26 EP disclosed
EP-0879224-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-25 EP disclosed
US-5760149-A POLYMERIZATION INITIATORS, CURING AGENTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-06-02 US disclosed
WO-1998007684-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-02-26 WO disclosed
JP-S54128536-A ALPHA,ALPHA-DIMETHYLBENZYL(ALPHA,ALPHA-DIMETHYL-M-METHYLBENZYL)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-12043683-B2 Dental materials based on redox systems with oligomeric cumene hydroperoxide derivatives CBR3, NR1H3, NR1I3 ALDH1A1 3641/4885ALOX15 309/4885ACHE 3288/4885

“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.