SCHEMBL726420

SCHEMBL726420

O=[N+]([O-])CCC(Cc1ccccc1O)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.38
AKR1B1 P15121 1/20 0.38
MGLL Q99685 1/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MPO P05164 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
CA1 P00915 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CPA1 P15085 3/20 0.34
IDO1 P14902 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
SCHEMBL28899674 0.90 MGLL (0.41) HSPA5AKR1B1MGLLCA12CA2
SCHEMBL11239755 0.90 MGLL (0.41) HSPA5AKR1B1MGLLCA12CA2
SCHEMBL28051902 0.87 HSPA5 (0.38) HSPA5AKR1B1MGLLCA12CA2
SCHEMBL10455741 0.78 HSPA5 (0.45) HSPA5AKR1B1MGLLCA12CA2
SCHEMBL27686233 0.77 TSHR (0.40) AKR1B1MGLLTSHR
SCHEMBL9756637 0.76 CPA1 (0.49) CYP1A2ALDH1A1CPA1
SCHEMBL6030691 0.75 CYP3A4 (0.51) HSPA5AKR1B1MGLLCA12CA2
SCHEMBL28671608 0.73 MGLL (0.47) HSPA5AKR1B1MGLLCA12CA2
SCHEMBL9356160 0.71 ANPEP (0.42) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL5183966 0.71 MGLL (0.50) HSPA5AKR1B1MGLLCA12CA2

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 111 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
CN-103781748-A Methods and compositions for inhibiting polystyrene formation during styrene manufacture GEN ELECTRIC 2014-05-07 CN 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-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 HSPA5 3303/4885AKR1B1 490/4885MGLL 3302/4885
US-20130072729-A1 METHODS AND COMPOSITIONS FOR INHIBITING POLYSTYRENE FORMATION DURING STYRENE PRODUCTION PAH, DDT, HPD HSPA5 3303/4885AKR1B1 490/4885MGLL 3302/4885
US-20070213569-A1 Processes for conversion of tyrosine to p-hydroxystyrene and p-acetoxystyrene TH, PAH, TPST2 HSPA5 4513/4885AKR1B1 990/4885MGLL 2303/4885
US-20080167493-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID TH, HPD, PAH HSPA5 749/4885AKR1B1 927/4885MGLL 2373/4885
US-20050228191-A1 Method for preparing hydroxystyrenes and acetylated derivatives thereof HAAO, EP300, HACL2 HSPA5 4022/4885AKR1B1 582/4885MGLL 1513/4885

“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.