SCHEMBL304939

SCHEMBL304939

Cc1c(O)cc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.48
SNCA P37840 1/20 0.46
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL8650331 0.88 GPR35 (0.48) GPR35SNCAALOX15ALOX12ALDH1A1
SCHEMBL28728496 0.86 GPR35 (0.57) GPR35SNCAALOX15ALOX12ALDH1A1
SCHEMBL29457573 0.86 GPR35 (0.57) GPR35SNCAALOX15ALOX12ALDH1A1
SCHEMBL1826938 0.84 GPR35 (0.48) GPR35SNCAALOX15ALOX12ALDH1A1
SCHEMBL11799394 0.81 GPR35 (0.50) GPR35SNCAALOX15ALOX12ALDH1A1
SCHEMBL8415102 0.81 TSHR (0.51) GPR35ALDH1A1TDP1CYP3A4TSHR
SCHEMBL304097 0.79 CYP1A2 (0.57) GPR35ALDH1A1TDP1CYP3A4TSHR
SCHEMBL11510080 0.79 GPR35 (0.41) GPR35SNCAALOX15ALOX12ALDH1A1
SCHEMBL29740138 0.79 GPR35 (0.41) GPR35SNCAALOX15ALOX12ALDH1A1
SCHEMBL21143325 0.78 GPR35 (0.52) GPR35SNCAALOX15ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US claimed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US claimed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US claimed
CN-111212827-B Increasing catalyst selectivity in continuous hydrogenation of nitro compounds by adding ammonia 巴斯夫欧洲公司 2023-11-17 CN claimed
CN-109803949-B Catalyst modification using alkali metal ions, alkaline earth metal ions or rare earth metal ions in the continuous liquid phase hydrogenation of nitro compounds 巴斯夫欧洲公司 2023-04-14 CN claimed
US-20190233364-A1 CATALYST MODIFICATION WITH ALKALI METAL, ALKALINE EARTH METAL OR RARE EARTH METAL IONS IN THE CONTINUOUS LIQUID-PHASE HYDROGENATION OF NITRO COMPOUNDS BASF SE (DE) 2019-08-01 US claimed
CN-109803949-A Catalyst modification using alkali metal ions, alkaline earth metal ions or rare earth metal ions in the continuous liquid phase hydrogenation of nitro compounds 巴斯夫欧洲公司 2019-05-24 CN claimed
CN-103339097-B Prevention of precipitation from nitrated aromatic crude products BASF SE 2015-03-18 CN claimed
EP-2571816-B1 METHOD AND DEVICE FOR REMOVING NITROAROMATICS FROM WASTE WATER BASF SE (DE) 2014-04-30 EP claimed
CN-103339097-A Prevention of precipitation from nitrated aromatic crude products BASF SE 2013-10-02 CN claimed
EP-1854160-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-11-14 EP claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
WO-2006085319-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2006-08-17 WO claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
CN-1465674-A High-effect multi-functional diesel additives 杜绍安 2004-01-07 CN claimed
US-5221440-A Distilling alkaline aqueous effluent in the presence of an alkali metal hydroxide to increase the alkalinity of the residue and concentrating residue RUBICON INC. (US) 1993-06-22 US claimed
US-4604214-A Removal of nitrocresols from dinitrotoluene waste streams using fentons reagent AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-08-05 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

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-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES TES, TNPO1, SLC2A1 GPR35 1862/4885SNCA 1856/4885ALOX15 3938/4885

“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.