SCHEMBL3200825

SCHEMBL3200825

COCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX12 P18054 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.40
PRKCE Q02156 3/20 0.40
MYLK Q15746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
PRKCG P05129 1/20 0.40
MAPT P10636 1/20 0.40
PRKCA P17252 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.37
PDK2 Q15119 1/20 0.36
ALOX15 P16050 2/20 0.35

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
SCHEMBL29399700 0.79 ALDH1A1 (0.37) HTTKDM4EALOX12ALDH1A1TDP1
SCHEMBL6561982 0.79 ALDH1A1 (0.37) HTTKDM4EALOX12ALDH1A1TDP1
SCHEMBL932272 0.79 ALDH1A1 (0.41) HTTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL5513040 0.78 CA2 (0.41) HTTKDM4ENPC1ALOX12RAB9A
SCHEMBL932105 0.78 KLF10 (0.47) HTTKDM4ENPC1RAB9AALDH1A1
SCHEMBL2040206 0.78 GABRA1 (0.43) HTTALDH1A1TDP1ALOX15HSD17B10
SCHEMBL70068 0.76 ALDH1A1 (0.48) HTTKDM4EALOX12NPSR1ALDH1A1
SCHEMBL30027143 0.76 ALDH1A1 (0.48) HTTKDM4EALOX12NPSR1ALDH1A1
SCHEMBL27963029 0.76 ALDH1A1 (0.48) HTTKDM4EALOX12NPSR1ALDH1A1
SCHEMBL3175623 0.74 TSHR (0.38) ALDH1A1MAPTKMT2ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363801-A2 Process for making 3,5-dialkyl-4-hydroxybenzyl-substituted aromatics ETHYL CORPORATION (US) 1990-04-18 EP claimed
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
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-8410084-B2 Alkylated heterocyclic reaction products useful as antioxidants ALBEMARLE CORPORATION (US) 2013-04-02 US disclosed
US-20100041730-A1 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS ADDIVANT USA, LLC 2010-02-18 US disclosed
CN-101610992-A Make the alkylated heterocyclic reaction products useful of antioxidant ALBEMARLE CORP (US) 2009-12-23 CN disclosed
CN-101528668-A Macromolecular amine-phenolic antioxidant compositions, process technology thereof, and uses thereof ALBEMARLE CORP (US) 2009-09-09 CN disclosed
EP-2084142-A2 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS Albermarle Corporation (US) 2009-08-05 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
EP-0363801-A2 Process for making 3,5-dialkyl-4-hydroxybenzyl-substituted aromatics ETHYL CORPORATION (US) 1990-04-18 EP 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-20100041730-A1 ALKYLATED HETEROCYCLIC REACTION PRODUCTS USEFUL AS ANTIOXIDANTS GPX4, AOX1, SQOR HTT 1778/4885KDM4E 3070/4885NPC1 3811/4885

“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.