SCHEMBL9750713

SCHEMBL9750713

Cc1c([N+](=O)[O-])ccc(O)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.55
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CTSB P07858 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 2/20 0.48
HIF1A Q16665 1/20 0.48
CTSH P09668 1/20 0.47
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCL1 Q07820 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
CASP6 P55212 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
SCHEMBL27812647 0.85 GPR35 (0.50) GPR35TDP1TSHRSMN1; SMN2CTSB
SCHEMBL258792 0.84 GPR35 (0.55) GPR35TDP1TSHRSMN1; SMN2CTSB
SCHEMBL1896801 0.83 TDP1 (0.56) GPR35TDP1TSHRSMN1; SMN2CTSB
SCHEMBL7520585 0.83 TDP1 (0.60) GPR35TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL11510078 0.82 GPR35 (0.53) GPR35TDP1TSHRSMN1; SMN2CTSB
Ammonia Solution, Strong SCHEMBL28335602 0.82 GPR35 (0.53) GPR35TDP1TSHRSMN1; SMN2CTSB
SCHEMBL2651124 0.82 TDP1 (0.54) GPR35TDP1TSHRSMN1; SMN2CTSB
SCHEMBL6858240 0.82 MCL1 (0.49) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL145978 0.81 GPR35 (0.67) GPR35TDP1TSHRSMN1; SMN2CTSB
SCHEMBL28755195 0.80 TDP1 (0.52) GPR35TDP1TSHRSMN1; SMN2CTSB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028355-A Conductive polyurethane foam containing picric acid and analog thereof CREST-FOAM CORPORATION (US) 1991-07-02 US claimed
EP-0316446-A4 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD 1991-03-20 EP claimed
US-4982034-A ALKYLATION, OXIDATIVE DEHYDROGENATION, DISTILLATION, EVAPORATION, ADSORPTION AMOCO CORPORATION (US) 1991-01-01 US claimed
EP-0316446-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM Corp. (US) 1989-05-24 EP claimed
WO-1988009350-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM COPORATION (US) 1988-12-01 WO claimed
US-10138183-B2 Process and composition for inhibiting the polymerization of cyclopentadiene compounds EVONIK DEGUSSA GMBH (DE) 2018-11-27 US disclosed
US-9670116-B2 Process and composition for inhibiting the polymerization of cyclopentadiene compounds EVONIK DEGUSSA GMBH (DE) 2017-06-06 US disclosed
US-9493382-B2 Process and composition for inhibiting the polymerization of cyclopentadiene compounds EVONIK DEGUSSA GMBH (DE) 2016-11-15 US disclosed
US-20160237008-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2016-08-18 US disclosed
US-20160237346-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2016-08-18 US disclosed
US-20140288337-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK INDUSTRIES AG (DE) 2014-09-25 US disclosed
CN-100338020-C Tech. of preparing 2,4-dinitro methyl-phenoxide by nitro methyl-phenoxide interrupter nitration JIASEN CHEMICAL INDUSTRY CO LT (CN) 2007-09-19 CN disclosed
CN-1861571-A Tech. of preparing 2,4-diamino methy-phenoxide using 2,4-dinictro methyl phenoxide JIASEN CHEMICAL INDUSTRY CO LT (CN) 2006-11-15 CN disclosed
CN-1861565-A Tech. of preparing 2,4-dinitro methyl-phenoxide by nitro methyl-phenoxide interrupter nitration JIASEN CHEMICAL INDUSTRY CO LT (CN) 2006-11-15 CN disclosed
US-5028355-A Conductive polyurethane foam containing picric acid and analog thereof CREST-FOAM CORPORATION (US) 1991-07-02 US disclosed
EP-0316446-A4 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD 1991-03-20 EP disclosed
US-4982034-A ALKYLATION, OXIDATIVE DEHYDROGENATION, DISTILLATION, EVAPORATION, ADSORPTION AMOCO CORPORATION (US) 1991-01-01 US disclosed
US-4886626-A REDUCTION OF ELECTRICAL RESISTANCE CREST-FOAM CORPORATION (US) 1989-12-12 US disclosed
EP-0316446-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM Corp. (US) 1989-05-24 EP disclosed
WO-1988009350-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM COPORATION (US) 1988-12-01 WO 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 (4 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-20140288337-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS CYC1, SQOR, UQCRB GPR35 4823/4885TDP1 2359/4885TSHR 4883/4885
US-20160237008-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS CYC1, SQOR, UQCRB GPR35 4823/4885TDP1 2359/4885TSHR 4883/4885
US-10138183-B2 Process and composition for inhibiting the polymerization of cyclopentadiene compounds CYC1, SQOR, UQCRB GPR35 4823/4885TDP1 2359/4885TSHR 4883/4885
US-20160237346-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS CYC1, SQOR, UQCRB GPR35 4823/4885TDP1 2359/4885TSHR 4883/4885

“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.