SCHEMBL5688280

SCHEMBL5688280

CCCCCCCCCCCCOc1ccc(C=C[N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.66
TLR2 O60603 2/20 0.66
FBP1 P09467 3/20 0.59
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
EGFR P00533 3/20 0.51
ERBB2 P04626 2/20 0.51
AHR P35869 1/20 0.50
PTGS2 P35354 1/20 0.50
NR5A1 Q13285 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13515394 1.00 TLR4 (0.66) TLR4TLR2FBP1NCOA1NCOA3
SCHEMBL5688276 1.00 TLR4 (0.66) TLR4TLR2FBP1NCOA1NCOA3
SCHEMBL509742 0.95 TLR4 (0.71) TLR4TLR2FBP1NCOA1NCOA3
SCHEMBL509743 0.95 TLR4 (0.71) TLR4TLR2FBP1NCOA1NCOA3
SCHEMBL17070027 0.92 FBP1 (0.64) TLR4TLR2FBP1ALDH1A1LMNA
SCHEMBL10485379 0.85 PTGS2 (0.71) NCOA1NCOA3ALDH1A1LMNAMAPT
SCHEMBL16632344 0.84 PTGS2 (0.69) TLR4TLR2FBP1ALDH1A1LMNA
SCHEMBL16632342 0.84 PTGS2 (0.69) TLR4TLR2FBP1ALDH1A1LMNA
SCHEMBL23998046 0.84 AHR (0.67) AHRNR5A1TP53TSHR
SCHEMBL2042216 0.84 AHR (0.67) AHRNR5A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265483-B1 USE OF PHENYLETHYLAMINE DERIVATIVES FOR THE ANITMICROBIAL TREATMENT OF SURFACES CIBA SC HOLDING AG (CH) 2006-03-29 EP disclosed
US-6846492-B2 Use of phenylethylamine derivatives for the antimicrobial treatment of surfaces CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-25 US disclosed
US-20030207884-A1 Use of phenylethylamine derivatives for the antimicrobial treatment of surfaces CIBA SPECIALTY CHEMICALS CORP. 2003-11-06 US disclosed
EP-1265483-A2 USE OF PHENYLETHYLAMINE DERIVATIVES FOR THE ANITMICROBIAL TREATMENT OF SURFACES Ciba SC Holding AG (CH) 2002-12-18 EP disclosed
WO-2001062082-A2 USE OF PHENYLETHYLAMINE DERIVATIVES FOR THE ANITMICROBIAL TREATMENT OF SURFACES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-30 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-20030207884-A1 Use of phenylethylamine derivatives for the antimicrobial treatment of surfaces CLTC, TUBA3C, AOC1 TLR4 298/4885TLR2 39/4885FBP1 3978/4885

“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.