SCHEMBL5491264

SCHEMBL5491264

COc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
GPR35 Q9HC97 3/20 0.58
TDP1 Q9NUW8 6/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 3/20 0.46
TPMT P51580 1/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL225343 0.88 ALDH1A1 (0.50) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL654449 0.88 TSHR (0.52) ALDH1A1GPR35TDP1MAPTMAPK1
Ammonia Solution, Strong SCHEMBL17891329 0.84 ALDH1A1 (0.53) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL1875008 0.84 ALDH1A1 (0.56) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL359733 0.83 GPR35 (0.52) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL1091374 0.82 ALDH1A1 (0.54) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL11852192 0.82 ALDH1A1 (0.54) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL15872024 0.81 MAPK1 (0.50) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL12776963 0.81 HTT (0.51) ALDH1A1GPR35TDP1MAPTTSHR
Ammonia Solution, Strong SCHEMBL2831339 0.81 ALDH1A1 (0.53) ALDH1A1GPR35TDP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8562870-B2 Polymer dopants MERCK PATENT GMBH (DE) 2013-10-22 US disclosed
US-7211119-B2 Coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-05-01 US disclosed
EP-1629824-A1 New coupler components Henkel Kommanditgesellschaft auf Aktien (DE) 2006-03-01 EP disclosed
US-20060000032-A1 Novel coupling components HENKEL AG & CO. KGAA (DE) 2006-01-05 US disclosed
EP-1517669-B1 NOVEL COUPLING COMPONENTS HENKEL KGAA (DE) 2005-10-26 EP disclosed
EP-1585488-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP disclosed
EP-1517669-A1 NOVEL COUPLING COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-03-30 EP disclosed
WO-2004058206-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO disclosed
WO-2004058204-A1 NOVEL COUPLING COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 EP disclosed
EP-0045423-A1 Process for the alpha-halogenation of possibly substituted methyl aromatics BAYER AG (DE) 1982-02-10 EP disclosed
US-4171203-A IN COMBINATION WITH A TETRAAMINOPYRIMIDING COUPLER SURFACTANTS AND THICKENERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-10-16 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-20060000032-A1 Novel coupling components KRT18, C9, H1-4 ALDH1A1 450/4885GPR35 3121/4885TDP1 2982/4885

“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.