SCHEMBL2763243

SCHEMBL2763243

O=Cc1ccccc1OC(=O)CCCCCO[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR2 Q92731 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAD52 P43351 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA9 Q16790 3/20 0.36

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
SCHEMBL2762555 0.99 PTGS2 (0.48) PTGS2ALDH1A1MAPTHPGDHTT
SCHEMBL2763284 0.95 PTGS2 (0.46) PTGS2ALDH1A1MAPTHPGDHTT
SCHEMBL15929208 0.90 PTGS2 (0.51) PTGS2ALDH1A1MAPTHPGDHTT
SCHEMBL2762935 0.89 ALDH1A1 (0.47) PTGS2ALDH1A1MAPTHPGDHTT
SCHEMBL7358847 0.85 ALDH1A1 (0.61) PTGS2ALDH1A1MAPTHPGDHTT
SCHEMBL15941304 0.83 ALDH1A1 (0.62) PTGS2ALDH1A1MAPTHPGDHTT
SCHEMBL2763064 0.82 KDM4E (0.59) PTGS2ALDH1A1MAPTHPGDESR2
SCHEMBL2763292 0.81 PTGS2 (0.42) PTGS2ALDH1A1MAPTHPGDHTT
SCHEMBL554351 0.81 PTGDR2 (0.50) PTGS2ALDH1A1MAPTHPGDHTT
SCHEMBL9247222 0.81 ALDH1A1 (0.62) PTGS2ALDH1A1MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951653-B1 SALICYLIC ACID DERIVATIVES NICOX SA (FR) 2010-10-20 EP disclosed
US-20080293781-A1 Salicylic Acid Derivatives NICOX S.A. (FR) 2008-11-27 US disclosed
EP-1951653-A1 SALICYLIC ACID DERIVATIVES NicOx S.A. (FR) 2008-08-06 EP disclosed
WO-2007060112-A1 SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2007-05-31 WO 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-20080293781-A1 Salicylic Acid Derivatives PTGS2, PTGS1, PTGES2 PTGS2 1/4885ALDH1A1 51/4885MAPT 4289/4885

“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.