SCHEMBL1028447

SCHEMBL1028447

CC(C)CC(C)Nc1ccc(N=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HSD17B10 Q99714 5/20 0.56
TSHR P16473 4/20 0.56
CYP3A4 P08684 3/20 0.56
HIF1A Q16665 3/20 0.56
ALOX15 P16050 2/20 0.56
MAPK1 P28482 2/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 2/20 0.45
HSP90AA1 P07900 1/20 0.45
THRB P10828 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.34
FPR2 P25090 1/20 0.33
PKM P14618 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL144947 0.84 ALDH1A1 (0.73) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL638296 0.84 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL1029396 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL9933293 0.78 ALDH1A1 (0.85) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL24564966 0.76 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL9511506 0.76 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL13996001 0.76 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL13996008 0.76 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL27292072 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL2639888 0.75 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRCYP3A4HIF1A

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
EP-1474377-B1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CHEMTURA CORP (US) 2011-01-19 EP claimed
US-7125475-B2 Nitrosophenols and C-nitrosoanilines as polymerization inhibitors CROMPTON CORPORATION (US) 2006-10-24 US claimed
EP-1474377-A1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS Crompton Corporation (US) 2004-11-10 EP claimed
WO-2003070687-A1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CROMPTON CORPORATION (US) 2003-08-28 WO claimed
US-20030155227-A1 Nitrosophenols and C-nitrosoanilines as polymerization inhibitors CROMPTON CORPORATION 2003-08-21 US claimed
US-20180361319-A1 METHOD FOR IMPROVED REACTVE MONOMER PRODUCTION WITH MEMBRANE FILTRATION EVONIK DEGUSSA GMBH (DE) 2018-12-20 US disclosed
EP-3197596-B1 METHOD FOR IMPROVED REACTIVE MONOMER PRODUCTION WITH MEMBRANE FILTRATION EVONIK DEGUSSA GMBH (DE) 2018-11-07 EP disclosed
EP-2993164-B1 Phenolic (thio) acetals as inhibitors of the polymerisation of olefinically unsaturated monomers EVONIK DEGUSSA GMBH (DE) 2017-02-15 EP disclosed
EP-2993164-A1 Phenolic (thio) acetals as inhibitors of the polymerisation of olefinically unsaturated monomers Evonik Degussa GmbH (DE) 2016-03-09 EP disclosed
EP-1474377-B1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CHEMTURA CORP (US) 2011-01-19 EP disclosed
US-7125475-B2 Nitrosophenols and C-nitrosoanilines as polymerization inhibitors CROMPTON CORPORATION (US) 2006-10-24 US disclosed
EP-1474377-A1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS Crompton Corporation (US) 2004-11-10 EP disclosed
WO-2003070687-A1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CROMPTON CORPORATION (US) 2003-08-28 WO disclosed
US-20030155227-A1 Nitrosophenols and C-nitrosoanilines as polymerization inhibitors CROMPTON CORPORATION 2003-08-21 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-20180361319-A1 METHOD FOR IMPROVED REACTVE MONOMER PRODUCTION WITH MEMBRANE FILTRATION PUF60, MAX, SAMM50 ALDH1A1 4013/4885HSD17B10 2120/4885TSHR 4345/4885

“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.