SCHEMBL2196152

SCHEMBL2196152

C=CC(=O)OCCCCCCCCCCCC.C=CN1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
PRKCA P17252 2/20 0.42
HCAR2 Q8TDS4 2/20 0.40
NAAA Q02083 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
APP P05067 3/20 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
SCHEMBL11674208 0.95 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4PRKCA
SCHEMBL8734435 0.90 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4PRKCA
SCHEMBL11456720 0.87 ATM (0.53) TSHRHPGDPRKCAHCAR2MAPT
SCHEMBL10878664 0.87 ATM (0.53) TSHRHPGDPRKCAHCAR2MAPT
SCHEMBL10579992 0.87 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4PRKCA
SCHEMBL16111805 0.85 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4PRKCA
SCHEMBL10973759 0.84 TSHR (0.43) TSHRHPGDALDH1A1PRKCAHCAR2
Acrylic Acid Ethyl Ester SCHEMBL251480 0.84 ALDH1A1 (0.37) TSHRHPGDALDH1A1CYP3A4MAPT
SCHEMBL27962943 0.84 ALOX5 (0.37) ALDH1A1PRKCAMAPTHTT
Acrylic Acid SCHEMBL6129067 0.84 TSHR (0.52) TSHRHPGDPRKCAHCAR2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2023-08-29 US disclosed
US-20210403423-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2021-12-30 US disclosed
US-10906870-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2021-02-02 US disclosed
EP-2499195-B1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTCLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING INC (US) 2020-12-09 EP disclosed
US-20190315685-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE PLASTIPAK PACKAGING INC (US) 2019-10-17 US disclosed
US-10125096-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2018-11-13 US disclosed
US-10040922-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING, INC. (US) 2018-08-07 US disclosed
US-20170313875-A1 OXYGEN SCAVENGING COMPOSITIONS, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2017-11-02 US disclosed
US-20170088332-A1 Oxygen Scavenging Molecules, Articles Containing Same, and Methods of Their Use CONSTAR INTERNATIONAL LLC 2017-03-30 US disclosed
US-9475630-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2016-10-25 US disclosed
US-4474917-A Phenolic phosphite antioxidant for polymers ETHYL CORPORATION (US) 1984-10-02 US disclosed
US-4456541-A Antioxidant diamine ETHYL CORPORATION (US) 1984-06-26 US disclosed
EP-0020138-B1 N-(2-AMINO-3-ETHYL-ALPHA-METHYLBENZYLIDENE)-2,6-DIETHYLANILINE AND ITS PREPARATION; ANTIOXIDANT ADDITIVE MIXTURES INCLUDING SAID COMPOUND; THE USE OF SAID COMPOUND, SAID ADDITIVE MIXTURES AND CERTAIN ALKYLATED ANILINES AS ANTIOXIDANTS FOR ORGANIC MATERIALS; AND ORGANIC MATERIALS AFFORDED ANTIOXIDANT PROTECTION AS AFORESAID ETHYL CORPORATION (US) 1983-06-22 EP disclosed
US-4278554-A METHYLENE-BRIDGED O-ALKYLPHENOLIC COMPOUNDS DIALKYLPHENOL TERMINATED ETHYL CORPORATION (US) 1981-07-14 US disclosed
US-4269720-A N-(2-AMINO-3-ETHYL-ALPHA-METHYLBENZYLIDENE)-2,6-DIETHYL ANILINE ETHYL CORPORATION (US) 1981-05-26 US disclosed
EP-0020138-A2 N-(2-amino-3-ethyl-alpha-methylbenzylidene)-2,6-diethylaniline and its preparation; antioxidant additive mixtures including said compound; the use of said compound, said additive mixtures and certain alkylated anilines as antioxidants for organic materials; and organic materials afforded antioxidant protection as aforesaid ETHYL CORPORATION (US) 1980-12-10 EP disclosed
US-4222884-A PHENOLIC COMPOUND ETHYL CORPORATION (US) 1980-09-16 US disclosed
US-4222883-A 4,4'-Furfurylidene bis(2,6-di-tert-butylphenol)antioxidant ETHYL CORPORATION (US) 1980-09-16 US disclosed
US-4104255-A DI-(3,5-DICYCLOPENTYL-4-HYDROXYBENZYL) SULFIDE ETHYL CORPORATION (US) 1978-08-01 US disclosed
US-4066562-A ANTIOXIDANT ETHYL CORPORATION (US) 1978-01-03 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 (7 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-20190315685-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE SQOR, SCO2, SOD1 TSHR 3878/4885HPGD 191/4885ALDH1A1 618/4885
US-10906870-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, SOD1 TSHR 3878/4885HPGD 191/4885ALDH1A1 618/4885
US-10040922-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions TXN2, PRDX5, SOD1 TSHR 3839/4885HPGD 468/4885ALDH1A1 1671/4885
US-10125096-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, DUOX2 TSHR 3883/4885HPGD 187/4885ALDH1A1 588/4885
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, DUOX2 TSHR 3883/4885HPGD 187/4885ALDH1A1 588/4885
US-20170088332-A1 Oxygen Scavenging Molecules, Articles Containing Same, and Methods of Their Use SQOR, SCO2, DUOX2 TSHR 3883/4885HPGD 187/4885ALDH1A1 588/4885
US-20210403423-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE SQOR, SCO2, DUOX2 TSHR 3883/4885HPGD 187/4885ALDH1A1 588/4885

“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.