SCHEMBL4807774

SCHEMBL4807774

CC(CC(=O)O)c1c(C(C)(C)C)cc(O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 2/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 3/20 0.35
GPR55 Q9Y2T6 1/20 0.34
CYP26A1 O43174 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6453640 0.79 ALDH1A1 (0.44) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL28182200 0.77 GLRA3 (0.41) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL1278621 0.76 GLRA3 (0.46) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL10769690 0.76 GLRA3 (0.46) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL410919 0.74 GLRA3 (0.42) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL28429448 0.74 VCAM1 (0.44) GLRA3GLRBGPR55
SCHEMBL1277895 0.73 ALOX15 (0.48) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL10413968 0.72 GLRA3 (0.38) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL7792915 0.72 FFAR1 (0.45) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL7792669 0.71 CYP3A4 (0.54) GLRA3GLRBALDH1A1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339003-B2 Antioxidants and antioxidant boosters capable of producing hydroperoxyl radicals EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2008-03-04 US disclosed
US-20050145831-A1 Antioxidants and antioxidant boosters capable of producing hydroperoxyl radicals ALDRICH HAVEN S (US) 2005-07-07 US disclosed
US-6689724-B2 HIGH NUMBER OF HYDROXYL POLYOL ESTERS ANTIOXIDANTS WHEN GRAFTED ONTO MINERAL OILS, POLYOL ESTERS, POLYALPHA OLEFIN BASE STOCKS, FUELS, OLIGOMERS AND POLYMERS CAN INCREASE THE OXIDATION STABILITY; LUBRICANTS; OIL ADDITIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-02-10 US disclosed
WO-2002092734-A1 ANTIOXIDANTS AND ANTIOXIDANT BOOSTERS CAPABLE OF PRODUCING HYDROPEROXYL RADICALS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2002-11-21 WO disclosed
US-20020082174-A1 Antioxidants and antioxidant boosters capable of producing hydroperoxyl radicals EXXONMOBIL RESEARCH & ENGINEERING CO. 2002-06-27 US disclosed
EP-0590360-B1 Process for the preparation of aryl-substituted propionic acid esters MONTELL NORTH AMERICA INC (US) 1996-12-27 EP disclosed
EP-0590360-A2 Process for the preparation of aryl-substituted propionic acid esters MONTELL NORTH AMERICA INC. (US) 1994-04-06 EP disclosed
US-5264612-A Process for the preparation of aryl-substituted propionic acid esters HIMONT INCORPORATED (US) 1993-11-23 US 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-20020082174-A1 Antioxidants and antioxidant boosters capable of producing hydroperoxyl radicals GPX4, LPO, CAT GLRA3 1951/4885GLRB 1769/4885ALDH1A1 397/4885

“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.