SCHEMBL9064284

SCHEMBL9064284

CC(C)(c1ccccc1)c1ccc2c(c1)Nc1cc(C(C)(C)c3ccccc3)ccc1S2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 11/20 0.57
CYBB P04839 2/20 0.57
NOX3 Q9HBY0 2/20 0.57
NOX4 Q9NPH5 2/20 0.57
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CYP3A4 P08684 2/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 6/20 0.44
GAA P10253 5/20 0.44
ALOX15 P16050 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CNR1 P21554 3/20 0.44
SNCA P37840 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7765548 0.95 NOX1 (0.65) NOX1CYBBNOX3NOX4BCHE
SCHEMBL2139511 0.86 NOX1 (0.49) NOX1CYBBNOX3NOX4BCHE
SCHEMBL29674392 0.86 NOX1 (0.49) NOX1CYBBNOX3NOX4BCHE
SCHEMBL885158 0.85 NOX1 (0.57) NOX1CYBBNOX3NOX4BCHE
SCHEMBL25898787 0.79 NOX1 (0.71) NOX1CYBBNOX3NOX4BCHE
SCHEMBL26433748 0.75 NOX1 (0.46) NOX1CYBBNOX3NOX4BCHE
Benzene SCHEMBL29242186 0.75 NOX1 (0.97) NOX1CYBBNOX3NOX4BCHE
SCHEMBL28110666 0.74 NOX1 (0.58) NOX1CYBBNOX3NOX4BCHE
SCHEMBL9671163 0.73 NOX1 (0.61) NOX1CYBBNOX3NOX4BCHE
SCHEMBL560225 0.72 NOX1 (1.00) NOX1CYBBNOX3NOX4BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522709-B1 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEM CO INC (US) 1996-08-21 EP claimed
US-4915873-A PHENOTHIAZINE AND ARYL-SUBSTITUTED PHENYLENEDIAMINE UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-04-10 US claimed
EP-0334500-A1 Vinyl aromatic compositons stabilized against polymerization UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-09-27 EP claimed
EP-0325059-A2 Polymerization inhibitor composition for vinyl aromatic compounds UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-07-26 EP claimed
EP-3310819-B1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2019-06-12 EP disclosed
US-10301252-B2 Production of tert-butyl esters of ethylenically unsaturated carboxylic acids BASF SE (DE) 2019-05-28 US disclosed
EP-3277657-B1 PRODUCTION OF TERT-BUTYL ESTERS OF ALIPHATIC CARBOXYLIC ACIDS BASF SE (DE) 2019-05-15 EP disclosed
US-10221255-B2 Composition for the immediate stopping of a free-radical polymerization BASF SE (DE) 2019-03-05 US disclosed
US-20190002389-A1 PRODUCTION OF TERT-BUTYL ESTERS OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2019-01-03 US disclosed
EP-3390339-A1 PRODUCTION OF TERT-BUTYL ESTERS OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2018-10-24 EP disclosed
US-10023520-B2 Preparation of tert-butyl esters of aliphatic carboxylic acids BASF SE (DE) 2018-07-17 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
EP-3277657-A1 PRODUCTION OF TERT-BUTYL ESTERS OF ALIPHATIC CARBOXYLIC ACIDS BASF SE (DE) 2018-02-07 EP disclosed
WO-2017102297-A1 PRODUCTION OF TERT-BUTYL ESTERS OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2017-06-22 WO disclosed
WO-2016202883-A1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2016-12-22 WO disclosed
WO-2016156410-A1 PRODUCTION OF TERT-BUTYL ESTERS OF ALIPHATIC CARBOXYLIC ACIDS BASF SE (DE) 2016-10-06 WO disclosed
US-20160289159-A1 PREPARATION OF TERT-BUTYL ESTERS OF ALIPHATIC CARBOXYLIC ACIDS BASF SE (DE) 2016-10-06 US disclosed
US-4915873-A PHENOTHIAZINE AND ARYL-SUBSTITUTED PHENYLENEDIAMINE UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-04-10 US disclosed
EP-0334500-A1 Vinyl aromatic compositons stabilized against polymerization UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-09-27 EP disclosed
EP-0325059-A2 Polymerization inhibitor composition for vinyl aromatic compounds UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-07-26 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 (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-10221255-B2 Composition for the immediate stopping of a free-radical polymerization FASTKD5, TYK2, FASTKD1 NOX1 124/4885CYBB 63/4885NOX3 225/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 NOX1 124/4885CYBB 63/4885NOX3 225/4885

“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.