SCHEMBL6846544

SCHEMBL6846544

CCCCC(CC)C(=O)OOOC(C)(CC(C)C)OO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 4/20 0.46
MAPK1 P28482 1/20 0.39
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP8 P22894 1/20 0.30

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
SCHEMBL6844550 0.89 CA2 (0.46) CA2CA1MAPK1ATML3MBTL1
SCHEMBL2335903 0.84 CA2 (0.53) CA2CA1MAPK1ATML3MBTL1
Tert-Butyl Hydroperoxide SCHEMBL3448286 0.81 CA2 (0.53) CA2CA1MAPK1ATML3MBTL1
SCHEMBL7879155 0.81 CA2 (0.49) CA2CA1MAPK1ATML3MBTL1
SCHEMBL37317 0.79 CA2 (0.58) CA2CA1MAPK1ATML3MBTL1
SCHEMBL94498 0.79 CA2 (0.53) CA2CA1MAPK1ATML3MBTL1
SCHEMBL249395 0.78 CA2 (0.46) CA2CA1MAPK1ATML3MBTL1
SCHEMBL601442 0.78 CA2 (0.49) CA2CA1MAPK1ATML3MBTL1
SCHEMBL28127359 0.77 CA2 (0.68) CA2CA1MAPK1ATML3MBTL1
SCHEMBL24902 0.77 CA2 (0.54) CA2CA1MAPK1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071662-B1 PEROXIDES, THEIR PREPARATION PROCESS AND USE AKZO NOBEL NV (NL) 2004-08-04 EP disclosed
US-6770774-B2 USING A PEROXY COMPOUND AS CURING AGENT, POLYMERIZATION CATALYST AKZO NOBEL N.V. (NL) 2004-08-03 US disclosed
US-20030073861-A1 Using a peroxy compound as curing agent, polymerization catalyst VAN DE BOVENKAMP-BOUWMAN ANNA (NL) 2003-04-17 US disclosed
US-6482970-B1 Peroxides, their preparation process and use AKZO NOBEL NV (NL) 2002-11-19 US disclosed
EP-1071662-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE Akzo Nobel N.V. (NL) 2001-01-31 EP disclosed
WO-1999052864-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE AKZO NOBEL N.V. (NL) 1999-10-21 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-20030073861-A1 Using a peroxy compound as curing agent, polymerization catalyst PRDX4, ACOX3, PRDX2 CA2 270/4885CA1 248/4885MAPK1 3658/4885

“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.