SCHEMBL6539480

SCHEMBL6539480

COc1ccc(Sc2ccc(/C=C/[N+](=O)[O-])cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.81
EGFR P00533 4/20 0.59
ERBB2 P04626 2/20 0.59
TLR4 O00206 2/20 0.54
TLR2 O60603 2/20 0.54
VCP P55072 2/20 0.53
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
GALR2 O43603 1/20 0.49
SYK P43405 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6539482 1.00 FBP1 (0.81) FBP1EGFRERBB2TLR4TLR2
SCHEMBL491095 0.90 FBP1 (1.00) FBP1EGFRERBB2TLR4TLR2
SCHEMBL491094 0.90 FBP1 (1.00) FBP1EGFRERBB2TLR4TLR2
SCHEMBL6540237 0.86 FBP1 (0.66) FBP1EGFRERBB2TLR4TLR2
SCHEMBL6540241 0.86 FBP1 (0.66) FBP1EGFRERBB2TLR4TLR2
SCHEMBL6541530 0.86 FBP1 (0.66) FBP1EGFRERBB2TLR4TLR2
SCHEMBL6541524 0.86 FBP1 (0.66) FBP1EGFRERBB2TLR4TLR2
Anisaldehyde SCHEMBL5030943 0.84 FBP1 (0.87) FBP1EGFRERBB2TLR4TLR2
SCHEMBL6540777 0.82 VCP (0.71) FBP1EGFRVCPALDH1A1LMNA
SCHEMBL6540784 0.82 VCP (0.71) FBP1EGFRVCPALDH1A1LMNA

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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 (2 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 FBP1 1286/4885EGFR 3275/4885ERBB2 3424/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 FBP1 2093/4885EGFR 3604/4885ERBB2 4167/4885

“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.