SCHEMBL490322

SCHEMBL490322

CCOC(=O)C(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.44
CA2 P00918 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 3/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
GPR55 Q9Y2T6 1/20 0.41
NR1I2 O75469 1/20 0.41
CA1 P00915 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
CACNA1A O00555 1/20 0.39

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
SCHEMBL30559748 1.00 HMGCR (0.44) HMGCRCA2ALDH1A1POLBTYR
SCHEMBL29602861 0.92 CA2 (0.46) HMGCRCA2ALDH1A1POLBTYR
SCHEMBL6056065 0.89 CA2 (0.42) HMGCRCA2ALDH1A1POLBTYR
SCHEMBL4773329 0.88 LMNA (0.42) HMGCRCA2ALDH1A1POLBTYR
SCHEMBL6396663 0.86 CYP1A2 (0.43) HMGCRCA2ALDH1A1POLBTYR
SCHEMBL1894653 0.86 HMGCR (0.40) HMGCRCA2ALDH1A1POLBTYR
SCHEMBL5974600 0.85 LMNA (0.40) HMGCRCA2ALDH1A1POLBTYR
SCHEMBL10098355 0.85 LMNA (0.40) HMGCRCA2ALDH1A1POLBTYR
SCHEMBL28115084 0.85 ESR1 (0.44) ALDH1A1SMN1; SMN2GAALMNARECQL
SCHEMBL887986 0.84 GPR55 (0.40) HMGCRCA2ALDH1A1POLBTYR

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160649-B Low-volatility oxidation inhibition composition and preparation method thereof 武汉三友石化有限公司 2024-01-30 CN claimed
CN-115160649-A Low-volatility oxidation inhibition composition and preparation method thereof 武汉三友石化有限公司 2022-10-11 CN claimed
CN-115160649-B Low-volatility oxidation inhibition composition and preparation method thereof 武汉三友石化有限公司 2024-01-30 CN disclosed
CN-111647217-B Polyethylene pipe for fuel gas and preparation method thereof 上海中塑管业有限公司 2022-11-29 CN disclosed
CN-115160649-A Low-volatility oxidation inhibition composition and preparation method thereof 武汉三友石化有限公司 2022-10-11 CN disclosed
CN-106574090-B 3- phenylbenzofuran -2- ketone diphosphorous acid ester derivant as stabilizer 巴斯夫欧洲公司 2019-11-19 CN disclosed
CN-107922673-A Phosphorus-containing 3-phenyl-benzofuran-2-one derivatives as stabilizers 巴斯夫欧洲公司 2018-04-17 CN disclosed
CN-105694098-B A kind of additive for polymer 天津利安隆新材料股份有限公司 2017-09-15 CN disclosed
CN-105682504-B Polyurethane composition for watch and watch using same 西铁城时计株式会社 2017-05-17 CN disclosed
CN-106574090-A 3-phenyl-benzofuran-2-one diphosphite derivatives as stabilizers 巴斯夫欧洲公司 2017-04-19 CN disclosed
US-8908293-B2 Dispersion composition, photosensitive resin composition, and solid-state image pick-up element FUJIFILM CORPORATION (JP) 2014-12-09 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
US-20080108540-A1 Antioxidants for the stabilization of formulations comprising surfactants HUEGLIN DIETMAR 2008-05-08 US disclosed
US-4806675-A CATALYTIC ESTERIFICATION WITH HYDROXYALKANOIC AND THIOALKANOIC ACIDS; HEAT AND OXIDATION RESISTANCE MALLINCKRODT, INC. (US) 1989-02-21 US disclosed
US-4794138-A STABILIZERS OF ORGANIC MATERIAL NORMALLY SUSCEPTIBLE TO OXIDATIVE AND/OR THERMAL DETERIORATION MALLINCKRODT, INC. (US) 1988-12-27 US disclosed
US-4772741-A STABILIZERS FOR POLYMERS MILLINCKRODT, INC. (US) 1988-09-20 US disclosed
US-4734519-A STABILIZERS MALLINCKRODT, INC. (US) 1988-03-29 US disclosed
EP-0250087-A1 Pentaerythritol co-esters MALLINCKRODT, INC. (US) 1987-12-23 EP disclosed
US-4652272-A DIESEL FUELS WITH NITRATES AND ALKYL-HYDROXYPHENYL ESTERS ETHYL CORPORATION (US) 1987-03-24 US disclosed
US-4263446-A Process for making 3-(3,5-dialkyl-4-hydroxyphenyl)propionate esters of hydroxyalkyloxamides UNIROYAL, INC. (US) 1981-04-21 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-20080152603-A1 Antioxidants GPX4, GPX1, CAT HMGCR 373/4885CA2 1558/4885ALDH1A1 181/4885

“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.