SCHEMBL4982850

SCHEMBL4982850

COc1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(C(C)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
TLR9 Q9NR96 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGS2 P35354 2/20 0.50
KRAS P01116 1/20 0.50
PTGS1 P23219 1/20 0.50
CYP19A1 P11511 1/20 0.49

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
SCHEMBL4982840 1.00 MAPT (0.57) MAPTMAOAMAOBTLR9ALDH1A1
SCHEMBL4989464 0.86 KMT2A (0.51) MAPTMAOAMAOBALDH1A1LMNA
SCHEMBL4989475 0.86 KMT2A (0.51) MAPTMAOAMAOBALDH1A1LMNA
SCHEMBL10144975 0.85 MMP1 (0.47) MAPTMAOAMAOBALDH1A1LMNA
SCHEMBL9478343 0.83 MAOB (0.73) MAPTMAOAMAOBTLR9ALDH1A1
SCHEMBL9478353 0.83 MAOB (0.73) MAPTMAOAMAOBTLR9ALDH1A1
SCHEMBL17301242 0.81 MAPT (0.55) MAPTMAOAMAOBALDH1A1KMT2A
SCHEMBL14317395 0.81 ABCG2 (0.78) MAPTMAOAMAOBTLR9ALDH1A1
SCHEMBL4992909 0.80 MAPT (0.69) MAPTMAOBALDH1A1LMNAHTT
SCHEMBL9523755 0.80 PTGS2 (0.69) MAPTMAOAMAOBTLR9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192717-B2 Flavone derivative, chalcone derivative, styrylchromone derivative, or a coumarin derivative with high binding specificity to an amyloid beta protein, high permeability to a blood-brain barrier, and ability to rapidly disappear from sites other than cerebral senile plaque; also drug screening NAGASAKI UNIVERSITY (JP) 2012-06-05 US disclosed
US-20080131367-A1 Composition For Diagnosing Amyloid-Related Diseases Mori, Hiroshi (JP) 2008-06-05 US disclosed
EP-1815872-A1 COMPOSITION FOR AMYLOID-ASSOCIATED DISEASE DIAGNOSIS Nagasaki University (JP) 2007-08-08 EP 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-20080131367-A1 Composition For Diagnosing Amyloid-Related Diseases APP, APBA1, FABP7 MAPT 20/4885MAOA 2873/4885MAOB 2191/4885

“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.