SCHEMBL726417

SCHEMBL726417

CCCC(c1ccccc1O)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 7/20 0.37
ESR2 Q92731 4/20 0.37
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 3/20 0.36
AR P10275 1/20 0.35
CTSB P07858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
GPR35 Q9HC97 1/20 0.33
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL1854553 0.88 HSP90AA1 (0.39) TSHRALDH1A1TDP1ESR1ESR2
SCHEMBL19326612 0.75 LMNA (0.35) TSHRALDH1A1HSP90AA1NPSR1MEN1
SCHEMBL10455738 0.73 ALDH1A1 (0.54) TSHRALDH1A1TDP1CTSBNPSR1
SCHEMBL11207639 0.72 ALDH1A1 (0.46) TSHRALDH1A1TDP1CTSBNPSR1
SCHEMBL6546251 0.72 TSHR (0.52) TSHRALDH1A1TDP1ESR1ESR2
SCHEMBL981202 0.72 TSHR (0.52) TSHRALDH1A1TDP1ESR1ESR2
SCHEMBL5831906 0.72 TSHR (0.52) TSHRALDH1A1TDP1ESR1ESR2
SCHEMBL29355932 0.72 ALDH1A1 (0.46) TSHRALDH1A1TDP1CTSBNPSR1
SCHEMBL1581665 0.71 ALDH1A1 (0.56) TSHRALDH1A1TDP1ESR1ESR2
SCHEMBL983814 0.71 ALDH1A1 (0.56) TSHRALDH1A1TDP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638403-A1 IMPROVED FOULING CONTROL IN PRODUCTION OF VINYL AROMATIC MONOMERS WITH DISPERSANT-BASED CHEMICAL TREATMENT BL Technologies, Inc. (US) 2025-10-29 EP claimed
WO-2024137371-A1 IMPROVED FOULING CONTROL IN PRODUCTION OF VINYL AROMATIC MONOMERS WITH DISPERSANT-BASED CHEMICAL TREATMENT BL TECHNOLOGIES, INC. (US) 2024-06-27 WO claimed
US-20160052840-A1 METHODS AND COMPOSITIONS FOR INHIBITING POLYSTYRENE FORMATION DURING STYRENE PRODUCTION GENERAL ELECTRIC COMPANY 2016-02-25 US claimed
US-9206268-B2 Methods and compositions for inhibiting polystyrene formation during styrene production GENERAL ELECTRIC COMPANY (US) 2015-12-08 US claimed
EP-2755936-A1 METHODS AND COMPOSITIONS FOR INHIBITING POLYSTYRENE FORMATION DURING STYRENE PRODUCTION General Electric Company (US) 2014-07-23 EP claimed
WO-2013039627-A1 METHODS AND COMPOSITIONS FOR INHIBITING POLYSTYRENE FORMATION DURING STYRENE PRODUCTION GENERAL ELECTRIC COMPANY (US) 2013-03-21 WO claimed
US-20130072729-A1 METHODS AND COMPOSITIONS FOR INHIBITING POLYSTYRENE FORMATION DURING STYRENE PRODUCTION GENERAL ELECTRIC COMPANY (US) 2013-03-21 US claimed
JP-4764416-B2 2011-09-07 JP claimed
EP-2102253-A1 A METHOD FOR PREPARING GLYCIDYLOXYSTYRENE MONOMERS AND POLYMERS THEREOF E. I. Du Pont de Nemours and Company (US) 2009-09-23 EP claimed
US-7586013-B2 Method for preparing hydroxystyrenes and acetylated derivatives thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-09-08 US claimed
US-20080167493-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID E. I. DU PONT DE NEMOURS AND COMPANY 2008-07-10 US claimed
JP-2007530548-A 2007-11-01 JP claimed
WO-2007103478-A2 PROCESSES FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-ACETOXYSTYRENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-09-13 WO claimed
US-20070213569-A1 Processes for conversion of tyrosine to p-hydroxystyrene and p-acetoxystyrene E. I. DU PONT DE NEMOURS AND COMPANY 2007-09-13 US claimed
CN-1934061-A Method for preparing hydroxystyrenes and acetylated derivatives thereof DU PONT (US) 2007-03-21 CN claimed
WO-2005097719-A1 A METHOD FOR PREPARING HYDROXYSTYRENES AND ACETYLATED DERIVATIVES THEREOF E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-10-20 WO claimed
US-20050228191-A1 Method for preparing hydroxystyrenes and acetylated derivatives thereof E. I. DU PONT DE NEMOURS AND COMPANY 2005-10-13 US claimed
US-20040237383-A1 Combustion modifiers for water-blended fuels LUBRIZOL CORPORATION, THE 2004-12-02 US claimed
EP-1408788-A1 COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS THE LUBRIZOL CORPORATION (US) 2004-04-21 EP claimed
WO-2002068334-A1 COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS THE LUBRIZOL CORPORATION (US) 2002-09-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160052840-A1 METHODS AND COMPOSITIONS FOR INHIBITING POLYSTYRENE FORMATION DURING STYRENE PRODUCTION PAH, DDT, HPD TSHR 4331/4885ALDH1A1 141/4885TDP1 889/4885
US-20130072729-A1 METHODS AND COMPOSITIONS FOR INHIBITING POLYSTYRENE FORMATION DURING STYRENE PRODUCTION PAH, DDT, HPD TSHR 4331/4885ALDH1A1 141/4885TDP1 889/4885
US-20070213569-A1 Processes for conversion of tyrosine to p-hydroxystyrene and p-acetoxystyrene TH, PAH, TPST2 TSHR 3080/4885ALDH1A1 1037/4885TDP1 505/4885
US-20080167493-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID TH, HPD, PAH TSHR 3315/4885ALDH1A1 995/4885TDP1 556/4885
US-20050228191-A1 Method for preparing hydroxystyrenes and acetylated derivatives thereof HAAO, EP300, HACL2 TSHR 4074/4885ALDH1A1 233/4885TDP1 1883/4885

“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.