SCHEMBL6540784

SCHEMBL6540784

COc1ccc(Sc2ccc(C=C[N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.71
FBP1 P09467 7/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
SYK P43405 2/20 0.55
EGFR P00533 2/20 0.55
MAPK1 P28482 2/20 0.55
GALR2 O43603 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP19A1 P11511 2/20 0.52
PTGS2 P35354 1/20 0.52
KMT2A Q03164 1/20 0.51
ABL1 P00519 1/20 0.47
ABL2 P42684 1/20 0.47
HSP90AA1 P07900 2/20 0.46
AGTR1 P30556 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6540777 1.00 VCP (0.71) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL29727003 0.84 VCP (1.00) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL793160 0.84 VCP (1.00) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL807768 0.84 VCP (1.00) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL6539480 0.82 FBP1 (0.81) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL6539482 0.82 FBP1 (0.81) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL28863042 0.82 VCP (0.97) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL6540241 0.81 FBP1 (0.66) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL6540237 0.81 FBP1 (0.66) VCPFBP1ALDH1A1LMNAMAPT
SCHEMBL6540847 0.80 FBP1 (0.54) VCPFBP1ALDH1A1LMNAMAPT

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 3 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
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 VCP 4063/4885FBP1 1286/4885ALDH1A1 188/4885

“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.