SCHEMBL6437741

SCHEMBL6437741

CCCCC/C=C\c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.53
APP P05067 1/20 0.51
FBP1 P09467 1/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTGS1 P23219 2/20 0.45
CYP19A1 P11511 2/20 0.45
TNNC1 P63316 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL6437684 1.00 PTGS2 (0.53) PTGS2APPFBP1MAPTMEN1
SCHEMBL6437682 1.00 PTGS2 (0.53) PTGS2APPFBP1MAPTMEN1
SCHEMBL2008644 0.98 PTGS2 (0.51) PTGS2APPFBP1MAPTMEN1
SCHEMBL8670886 0.98 PTGS2 (0.51) PTGS2APPFBP1MAPTMEN1
SCHEMBL15688634 0.98 PTGS2 (0.51) PTGS2APPFBP1MAPTMEN1
SCHEMBL2008642 0.98 PTGS2 (0.51) PTGS2APPFBP1MAPTMEN1
SCHEMBL8670890 0.98 PTGS2 (0.51) PTGS2APPFBP1MAPTMEN1
SCHEMBL15688633 0.98 PTGS2 (0.51) PTGS2APPFBP1MAPTMEN1
SCHEMBL15689017 0.95 PTGS2 (0.54) PTGS2APPFBP1MAPTMEN1
SCHEMBL15689016 0.95 PTGS2 (0.54) PTGS2APPFBP1MAPTMEN1

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-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 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-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA PTGS2 407/4885APP 4821/4885FBP1 3244/4885

“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.