SCHEMBL4878065

SCHEMBL4878065

Cc1ccc(O)c(CO)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 5/20 0.37
ESR2 Q92731 4/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN5A Q14524 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
AR P10275 3/20 0.34
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NQO1 P15559 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KLF10 Q13118 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL218019 0.83 KDM4E (0.40) TRPA1KDM4EALDH1A1ESR1ESR2
SCHEMBL8827947 0.83 ESR1 (0.43) TRPA1ATMESR1ESR2TP53
SCHEMBL358550 0.82 GABRA1 (0.36) TRPA1ATMKDM4EALDH1A1HTR1D
SCHEMBL983528 0.81 ESR1 (0.41) TRPA1ATMKDM4EALDH1A1ESR1
SCHEMBL33504 0.79 ALDH1A1 (0.44) TRPA1ATMKDM4EALDH1A1ESR1
SCHEMBL30805737 0.79 ALDH1A1 (0.44) TRPA1ATMKDM4EALDH1A1ESR1
SCHEMBL428824 0.79 KDM4E (0.39) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL30274388 0.79 ESR1 (0.40) KDM4EALDH1A1ESR1ESR2TP53
SCHEMBL12743251 0.77 KDM4E (0.36) TRPA1KDM4EALDH1A1ESR1ESR2
SCHEMBL30945836 0.77 CNR1 (0.41) TRPA1ATMESR1ESR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2612849-A1 Improved cumene hydroperoxide concentration process Borealis AG (AT) 2013-07-10 EP disclosed
CN-101268032-B Decomposition of cumene hydroperoxide UOP LLC 2012-10-03 CN disclosed
CN-101268032-A Decomposition of cumene hydroperoxide UOP LLC (US) 2008-09-17 CN disclosed
EP-1924543-A2 DECOMPOSITION OF CUMENE HYDROPEROXIDE UOP LLC (US) 2008-05-28 EP disclosed
EP-1922298-A2 DECOMPOSITION OF CUMENE HYDROPEROXIDE UOP LLC (US) 2008-05-21 EP disclosed
EP-1922298-A2 DECOMPOSITION OF CUMENE HYDROPEROXIDE UOP LLC (US) 2008-05-21 EP disclosed
US-7335797-B2 Oxidizing cumene to cumene hydroperoxide in a liquid phase in the presence of an oxidizing agent and of a basic pyridinic resin, the basic resin not releasing inorganic cations to the reaction environment; drastic reduction of dimethylphenolcarbinol byproduct; catalyst does not require a regeneration EUROTECHNICA DEVELOPMENT & LICENSING S.P.A. (IT) 2008-02-26 US disclosed
WO-2007024570-A3 DECOMPOSITION OF CUMENE HYDROPEROXIDE UOP LLC (US) 2007-11-15 WO disclosed
WO-2007024570-A2 DECOMPOSITION OF CUMENE HYDROPEROXIDE UOP LLC (US) 2007-03-01 WO disclosed
WO-2007024570-A2 DECOMPOSITION OF CUMENE HYDROPEROXIDE UOP LLC (US) 2007-03-01 WO disclosed
WO-2007024572-A2 DECOMPOSITION OF CUMENE HYDROPEROXIDE UOP LLC (US) 2007-03-01 WO disclosed
US-7141700-B1 Decomposition of cumene hydroperoxide UOP LLC (US) 2006-11-28 US disclosed
US-7141701-B1 Decomposition of cumene hydroperoxide UOP LLC (US) 2006-11-28 US disclosed
US-7141701-B1 Decomposition of cumene hydroperoxide UOP LLC (US) 2006-11-28 US disclosed
US-20060014985-A1 Oxidizing cumene to cumene hydroperoxide in a liquid phase in the presence of an oxidizing agent and of a basic pyridinic resin, the basic resin not releasing inorganic cations to the reaction environment; drastic reduction of dimethylphenolcarbinol byproduct; catalyst does not require a regeneration EUROTECNICA CONTRACTORS & ENGINEERS S.P.A. (IT) 2006-01-19 US disclosed
WO-2003076381-A1 PROCESS FOR THE SYNTHESIS OF CUMENE HYDROPEROXIDE EUROTECNICA DEVELOPMENT & LICENSING S.P.A. (IT) 2003-09-18 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-20060014985-A1 Oxidizing cumene to cumene hydroperoxide in a liquid phase in the presence of an oxidizing agent and of a basic pyridinic resin, the basic resin not releasing inorganic cations to the reaction environment; drastic reduction of dimethylphenolcarbinol byproduct; catalyst does not require a regeneration PLPBP, CBR1, POR TRPA1 706/4885ATM 3786/4885KDM4E 1441/4885

“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.