SCHEMBL3683680

SCHEMBL3683680

Cc1ccc([N+](=O)[O-])c(O)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
GPR35 Q9HC97 4/20 0.52
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 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
SCHEMBL9559517 0.85 ALDH1A1 (0.58) TSHRGPR35ALDH1A1TDP1HSD17B10
SCHEMBL29872530 0.85 ALDH1A1 (0.58) TSHRGPR35ALDH1A1TDP1HSD17B10
SCHEMBL472796 0.84 TSHR (0.55) TSHRGPR35ALDH1A1TDP1HSD17B10
SCHEMBL31108747 0.83 GPR35 (0.56) TSHRGPR35ALDH1A1TDP1HSD17B10
SCHEMBL4958698 0.83 GPR35 (0.60) TSHRGPR35ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16974400 0.83 GPR35 (0.60) TSHRGPR35ALDH1A1CYP3A4SMN1; SMN2
Methyl Alcohol SCHEMBL28765881 0.82 TSHR (0.62) TSHRGPR35ALDH1A1TDP1HSD17B10
SCHEMBL1369143 0.82 GPR35 (0.54) TSHRGPR35ALDH1A1TDP1HSD17B10
SCHEMBL28740174 0.82 ALDH1A1 (0.54) TSHRGPR35ALDH1A1TDP1CYP3A4
SCHEMBL58062 0.81 TSHR (0.67) TSHRGPR35ALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4514261-A Refining of tertiary butylstyrene EL PASO PRODUCTS COMPANY (US) 1985-04-30 US claimed
US-4482769-A Reducing 2,4-dinitroortho-cresol in effluent stream from dinitrotoluene process AIR PRODUCTS AND CHEMICALS, INC. (US) 1984-11-13 US claimed
EP-4602020-A1 ANTIPOLYMERANT COMPOSITIONS WITH NAPHTHOQUINONE AND HYDROXYLAMINE AND METHODS OF USING Ecolab USA, Inc. (US) 2025-08-20 EP disclosed
WO-2025059441-A1 ANTIPOLYMERANT COMPOSITIONS WITH BENZOQUINONE OR NAPHTHOQUINONE AND OXYGENATED AMINOPHENOL AND METHODS OF USING ECOLAB USA INC. (US) 2025-03-20 WO disclosed
US-20250092312-A1 ANTIPOLYMERANT COMPOSITIONS WITH BENZOQUINONE OR NAPHTHOQUINONE AND OXYGENATED AMINOPHENOL AND METHODS OF USING ECOLAB USA INC. 2025-03-20 US disclosed
EP-3898566-B1 HYDROXYLATED QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC (US) 2024-12-11 EP disclosed
US-20240141131-A1 ANTIPOLYMERANT COMPOSITIONS WITH NAPHTHOQUINONE AND HYDROXYLAMINE AND METHODS OF USING ECOLAB USA INC. 2024-05-02 US disclosed
WO-2024081354-A1 ANTIPOLYMERANT COMPOSITIONS WITH NAPHTHOQUINONE AND HYDROXYLAMINE AND METHODS OF USING ECOLAB USA INC. (US) 2024-04-18 WO disclosed
US-11866631-B2 Oxygenated aminophenol compounds and methods for preventing monomer polymerization ECOLAB USA INC. (US) 2024-01-09 US disclosed
EP-3820846-B1 COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER ECOLAB USA INC (US) 2024-01-03 EP disclosed
EP-4028382-B1 QUINONE METHIDE AND AMMONIUM SALT ANTIPOLYMERANT COMPOSITION AND METHOD ECOLAB USA INC (US) 2023-11-22 EP disclosed
EP-0122010-B1 TIMED RELEASE DELIVERY MEANS FOR DELIVERY OF ACTIVE AGENT TO SPATIALLY SEPARATED TERRAIN LOCATIONS AND COMPOSITIONS COMPRISED THEREBY METROPOLITAN MOSQUITO CONTROL DISTRICT (US) 1988-11-02 EP disclosed
EP-0186270-B1 TERTIARY BUTYLSTYRENE RECOVERY EL PASO PRODUCTS COMPANY (A Delaware Corporation) (US) 1988-07-06 EP disclosed
EP-0186269-B1 REFINING OF TERTIARY BUTYLSTYRENE EL PASO PRODUCTS COMPANY (A Delaware Corporation) (US) 1988-05-18 EP disclosed
EP-0186269-A1 Refining of tertiary butylstyrene EL PASO PRODUCTS COMPANY (A Delaware Corporation) (US) 1986-07-02 EP disclosed
EP-0186270-A1 Tertiary butylstyrene recovery EL PASO PRODUCTS COMPANY (A Delaware Corporation) (US) 1986-07-02 EP disclosed
US-4543438-A EXTRACTION WITH SULFONAE-WATER MIXTURE EL PASO PRODUCTS COMPANY (US) 1985-09-24 US disclosed
US-4543437-A SOLVENT EXTRACTION WITH SULFOLANE EL PASO PRODUCTS COMPANY (US) 1985-09-24 US disclosed
US-4514261-A Refining of tertiary butylstyrene EL PASO PRODUCTS COMPANY (US) 1985-04-30 US disclosed
EP-0122010-A1 Timed release delivery means for delivery of active agent to spatially separated terrain locations and compositions comprised thereby METROPOLITAN MOSQUITO CONTROL DISTRICT (US) 1984-10-17 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 (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-11866631-B2 Oxygenated aminophenol compounds and methods for preventing monomer polymerization HPD, DNPEP, PAH TSHR 4849/4885GPR35 3009/4885ALDH1A1 877/4885

“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.