SCHEMBL455051

SCHEMBL455051

CC(=O)/C=C/c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.61
GLA P06280 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
PTGS1 P23219 3/20 0.53
IAPP P10997 1/20 0.53
PTGS2 P35354 1/20 0.53
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NQO2 P16083 1/20 0.51
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
FBP1 P09467 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50

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
SCHEMBL30548410 1.00 NFE2L2 (0.61) NFE2L2GLATDP1MAOAMAOB
SCHEMBL455052 1.00 NFE2L2 (0.61) NFE2L2GLATDP1MAOAMAOB
SCHEMBL14441060 0.86 GLA (0.72) GLATDP1PTGS1IAPPKDM4E
SCHEMBL5598785 0.85 NFE2L2 (0.65) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL5598783 0.85 NFE2L2 (0.65) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL30337035 0.83 NFE2L2 (0.63) NFE2L2GLATDP1MAOAMAOB
SCHEMBL79651 0.83 NFE2L2 (0.63) NFE2L2GLATDP1MAOAMAOB
SCHEMBL7654865 0.83 NFE2L2 (0.63) NFE2L2GLATDP1MAOAMAOB
SCHEMBL79650 0.83 NFE2L2 (0.63) NFE2L2GLATDP1MAOAMAOB
SCHEMBL27674511 0.83 NFE2L2 (0.63) NFE2L2MAOAMAOBPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113304129-B Application of mono-ketene monocarbonyl curcumin analogue in preparing antioxidant drugs 温州医科大学附属第二医院(温州医科大学附属育英儿童医院) 2022-11-08 CN disclosed
CN-112266352-B Piperlongumine derivative and preparation method and application thereof 绍兴文理学院 2022-02-08 CN disclosed
CN-112266352-A Piperlongumine derivative and preparation method and application thereof 绍兴文理学院 2021-01-26 CN disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
EP-2516416-A1 CRTH2 MODULATORS Ironwood Pharmaceuticals, Inc. (US) 2012-10-31 EP disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
US-20110150834-A1 CRTH2 MODULATORS WELLS FARGO BANK, NATIONAL ASSOCIATION 2011-06-23 US disclosed
US-20110150834-A1 CRTH2 MODULATORS WELLS FARGO BANK, NATIONAL ASSOCIATION 2011-06-23 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed
US-7390826-B2 Inhibitors of animal cell motility and growth THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-24 US disclosed
US-7291743-B2 Isoxazole derivatives and methods of treating nitric oxide mediated diseases GENEBLUE CORPORATION (US) 2007-11-06 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 (2 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-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 NFE2L2 550/4885GLA 3518/4885TDP1 287/4885
US-20110150834-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 NFE2L2 126/4885GLA 3005/4885TDP1 4811/4885

“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.