SCHEMBL2679600

SCHEMBL2679600

CCCCC(CC)COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.40
HMGCR P04035 2/20 0.39
ALDH1A1 P00352 7/20 0.39
TSHR P16473 5/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
ATM Q13315 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
XBP1 P17861 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MAPK1 P28482 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
BLM P54132 2/20 0.38
HIF1A Q16665 2/20 0.38
GMNN O75496 1/20 0.38
GABBR2 O75899 1/20 0.38

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
SCHEMBL27536442 0.83 CYP3A4 (0.56) CYP3A4HMGCRALDH1A1TSHRLMNA
SCHEMBL888619 0.81 HMGCR (0.47) CYP3A4HMGCRALDH1A1TSHRLMNA
SCHEMBL18077339 0.81 HMGCR (0.39) CYP3A4HMGCRALDH1A1TSHRLMNA
SCHEMBL11706875 0.80 GAA (0.42) CYP3A4ALDH1A1TSHRLMNAGAA
SCHEMBL283905 0.80 CYP3A4 (0.51) CYP3A4HMGCRALDH1A1TSHRLMNA
SCHEMBL9659019 0.79 CYP3A4 (0.47) CYP3A4HMGCRALDH1A1TSHRLMNA
SCHEMBL6228436 0.79 CYP3A4 (0.47) CYP3A4HMGCRALDH1A1TSHRLMNA
SCHEMBL2679983 0.78 ALDH1A1 (0.46) CYP3A4HMGCRALDH1A1TSHRLMNA
SCHEMBL9845247 0.78 ALDH1A1 (0.44) CYP3A4HMGCRALDH1A1TSHRLMNA
SCHEMBL9674260 0.78 ALDH1A1 (0.44) CYP3A4HMGCRALDH1A1TSHRLMNA

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
CN-101528668-B Macromolecular amine-phenolic antioxidant compositions, its production technology and use SI GROUP INC. (US) 2016-04-20 CN disclosed
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
CN-101610992-B Alkylated heterocyclic reaction products useful as antioxidants ALBEMARLE CORP 2014-04-16 CN 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 CYP3A4 600/4885HMGCR 1872/4885ALDH1A1 957/4885
US-20100041730-A1 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS GPX4, AOX1, SQOR CYP3A4 169/4885HMGCR 917/4885ALDH1A1 429/4885

“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.