SCHEMBL2470437

SCHEMBL2470437

CCC(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.53
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ESR1 P03372 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL11875864 0.82 POLB (0.42) TDP1ALOX15ALDH1A1MEN1KMT2A
SCHEMBL10976006 0.82 VCAM1 (0.44) GPR35TDP1ALOX15ALOX12ALDH1A1
SCHEMBL10536423 0.81 ALDH1A1 (0.54) GPR35ALOX15ALOX12ALDH1A1CA12
SCHEMBL5078794 0.81 GPR35 (0.61) GPR35TDP1ALOX15ALOX12ALDH1A1
SCHEMBL690773 0.79 TDP1 (0.45) TDP1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13898660 0.78 HPGD (0.50) GPR35TDP1ALOX15ALOX12ALDH1A1
Dinoseb SCHEMBL29365762 0.77 TDP1 (0.62) GPR35TDP1ALOX15ALOX12ALDH1A1
Dinoseb SCHEMBL8534879 0.77 TDP1 (0.62) GPR35TDP1ALOX15ALOX12ALDH1A1
Dinoseb SCHEMBL54664 0.77 TDP1 (0.62) GPR35TDP1ALOX15ALOX12ALDH1A1
SCHEMBL9177084 0.77 TDP1 (0.40) GPR35TDP1ALOX15ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202391-B2 Process for inhibiting polymerization of an aromatic vinyl compound HAKUTO CO., LTD. (JP) 2007-04-10 US claimed
EP-1389607-B1 A PROCESS FOR INHIBITING POLYMERIZATION OF AN AROMATIC VINYL COMPOUND HAKUTO KK (JP) 2006-12-20 EP claimed
EP-1278712-B1 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS UNIROYAL CHEM CO INC (US) 2005-09-21 EP claimed
US-20040147797-A1 Method of inhibiting polymerization of aromatic vinyl ADDIVANT USA, LLC 2004-07-29 US claimed
EP-1278712-A2 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS Uniroyal Chemical Company, Inc. (US) 2003-01-29 EP claimed
US-6344560-B1 SOLUBILITY OF NITROXYL IN AROMATIC SOLVENT AND NITROAROMATIC COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2002-02-05 US claimed
WO-2001083567-A2 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-08 WO claimed
CN-117551007-A Method for increasing sulfonation degree of styrene tar 万华化学集团股份有限公司 2024-02-13 CN disclosed
CN-217895509-U Device for treating styrene tar 中海石油宁波大榭石化有限公司 2022-11-25 CN disclosed
CN-115305106-A Device and method for treating styrene tar 中海石油宁波大榭石化有限公司 2022-11-08 CN disclosed
CN-114854445-A Resource utilization method of styrene tar 中国海洋石油集团有限公司 2022-08-05 CN disclosed
CN-110862306-A Method for preparing quinone polymerization inhibitor through aminomethylation reaction 西北师范大学 2020-03-06 CN disclosed
EP-1843995-B1 MEANS FOR CONTROLLING THE EXOTHERMIC REACTION OF STYRENIC MONOMERS WITH SULFONIC ACIDS CHEMTURA CORP (US) 2013-06-05 EP disclosed
EP-1389607-A1 METHOD OF INHIBITING POLYMERIZATION OF AROMATIC VINYL Hakuto Co., Ltd (JP) 2004-02-18 EP disclosed
EP-1278712-A2 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS Uniroyal Chemical Company, Inc. (US) 2003-01-29 EP disclosed
US-6403850-B1 MIXTURE OF STABLE, HINDERED NITROXYL RADICAL (SUCH AS 4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINYLOXY), PHENYLENEDIAMINE, AND NITROAROMATIC COMPOUNDS; SYNERGISTIC EFFECT; AEROBIC AND ANAEROBIC CONDITIONS UNIROYAL CHEMICAL COMPANY, INC. 2002-06-11 US disclosed
US-6344560-B1 SOLUBILITY OF NITROXYL IN AROMATIC SOLVENT AND NITROAROMATIC COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2002-02-05 US disclosed
US-6339177-B1 TO INHIBIT OLEFIN POLYMERIZATION BY DEACTIVATING RADICALS THAT LEAD TO POLYMERIZATION SEA LION TECHNOLOGY, INC. 2002-01-15 US disclosed
WO-2001083567-A2 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-08 WO disclosed
US-4537999-A REACTION OF DINITROANISOLES WITH AN ALCOHOL IN PRESENCE OF AN ALKALINE COMPOUND CHISSO CORPORATION (JP) 1985-08-27 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-20040147797-A1 Method of inhibiting polymerization of aromatic vinyl PAH, VCP, HPD GPR35 4738/4885TDP1 2650/4885ALOX15 2684/4885

“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.