SCHEMBL2679896

SCHEMBL2679896

COCc1cc(-c2ccccc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
BACE1 P56817 1/20 0.44
ACLY P53396 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GMNN O75496 1/20 0.41
GABBR2 O75899 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL2679807 0.84 MEN1 (0.51) MEN1KMT2AGAABACE1ALDH1A1
SCHEMBL38917 0.81 CA2 (0.55) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL25446710 0.80 BACE1 (0.47) MEN1KMT2ABACE1ACLYALDH1A1
SCHEMBL2910937 0.79 GAA (0.47) MEN1KMT2AGAABACE1ALDH1A1
SCHEMBL9169045 0.79 ALDH1A1 (0.56) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL23239220 0.79 BACE1 (0.46) MEN1KMT2ABACE1ACLYALDH1A1
SCHEMBL28280389 0.79 GAA (0.51) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL510694 0.77 CA2 (0.59) MEN1KMT2AGAABACE1ALDH1A1
SCHEMBL4575808 0.77 CA1 (0.62) MEN1KMT2AGAABACE1ALDH1A1
SCHEMBL21753677 0.76 CA2 (0.57) MEN1KMT2AGAABACE1ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2662351-B1 Alkylated heterocyclic reaction products useful as antioxidants SI GROUP INC (US) 2016-03-30 EP disclosed
EP-2084142-B1 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS SI GROUP INC (US) 2016-03-23 EP disclosed
EP-2079677-B1 MACROMOLECULAR AMINE-PHENOLIC ANTIOXIDANT COMPOSITIONS, PROCESS TECHNOLOGY THEREOF, AND USES THEREOF ALBEMARLE CORP (US) 2014-07-09 EP disclosed
EP-2662351-A1 Alkylated heterocyclic reaction products useful as antioxidants Albemarle Corporation (US) 2013-11-13 EP disclosed
US-8455414-B2 Macromolecular amine-phenolic antioxidant compositions, process technology thereof, and uses thereof ALBEMARLE CORPORATION (US) 2013-06-04 US disclosed
US-8410084-B2 Alkylated heterocyclic reaction products useful as antioxidants ALBEMARLE CORPORATION (US) 2013-04-02 US disclosed
US-20120115764-A1 MACROMOLECULAR AMINE-PHENOLIC ANTIOXIDANT COMPOSITIONS, PROCESS TECHNOLOGY THEREOF, AND USES THEREOF ALBEMARLE CORPORATION (US) 2012-05-10 US disclosed
US-20100041730-A1 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS ADDIVANT USA, LLC 2010-02-18 US disclosed
EP-2084142-A2 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS Albermarle Corporation (US) 2009-08-05 EP disclosed
EP-2079677-A2 MACROMOLECULAR AMINE-PHENOLIC ANTIOXIDANT COMPOSITIONS, PROCESS TECHNOLOGY THEREOF, AND USES THEREOF Albermarle Corporation (US) 2009-07-22 EP disclosed
WO-2009073378-A1 INDUSTRIAL OIL FORMULATIONS CONTAINING MACROMOLECULAR ANTIOXIDANTS ALBEMARLE CORPORATION (US) 2009-06-11 WO disclosed
WO-2008048988-A2 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS ALBEMARLE CORPORATION (US) 2008-04-24 WO disclosed
WO-2008048989-A2 MACROMOLECULAR AMINE-PHENOLIC ANTIOXIDANT COMPOSITIONS, PROCESS TECHNOLOGY THEREOF, AND USES THEREOF ALBEMARLE CORPORATION (US) 2008-04-24 WO disclosed
WO-2008048990-A2 PROCESSES SUITABLE FOR PRODUCING MACROMOLECULAR ANTIOXIDANT COMPOSITIONS ALBEMARLE CORPORATION (US) 2008-04-24 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 (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-20120115764-A1 MACROMOLECULAR AMINE-PHENOLIC ANTIOXIDANT COMPOSITIONS, PROCESS TECHNOLOGY THEREOF, AND USES THEREOF PNMT, COMT, MAOA MEN1 3595/4885KMT2A 668/4885GAA 1654/4885
US-20100041730-A1 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS GPX4, AOX1, SQOR MEN1 3802/4885KMT2A 3567/4885GAA 1950/4885

“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.