SCHEMBL2836229

SCHEMBL2836229

O=[N+]([O-])c1ccc(/C=C/c2ccc(OCC(CO)CF)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.66
▸ PTGS2 P35354 5/20 0.57
▸ PTGS1 P23219 2/20 0.50
▸ MAOB P27338 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL2836231 1.00 APP (0.66) APPPTGS2PTGS1MAOBGAA
SCHEMBL2831598 0.92 PTGS2 (0.62) APPPTGS2PTGS1MAOBGAA
SCHEMBL9156442 0.83 PTGS2 (0.61) PTGS2PTGS1MAOBGAAMEN1
SCHEMBL9156438 0.83 PTGS2 (0.61) PTGS2PTGS1MAOBGAAMEN1
SCHEMBL2828900 0.81 PTGS2 (0.50) APPPTGS2PTGS1MAOBMEN1
SCHEMBL2828898 0.81 PTGS2 (0.50) APPPTGS2PTGS1MAOBMEN1
SCHEMBL2831077 0.80 APP (1.00) APPMAOBMAPTNPC1LMNA
SCHEMBL13096201 0.79 PTGS2 (0.52) APPPTGS2PTGS1MAOBMEN1
SCHEMBL3971713 0.77 PTGS2 (0.60) PTGS2PTGS1MAOBGAAMEN1
SCHEMBL9335748 0.76 PTGS2 (0.68) APPPTGS2PTGS1MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858072-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-12-28 — — US disclosed
US-20060269474-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-11-30 — — 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-20060269474-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques APP, APBA1, PSEN1 APP 1/4885PTGS2 3442/4885PTGS1 3373/4885

“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.

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