SCHEMBL7125844

SCHEMBL7125844

O=C(C#Cc1ccccc1)CCC(=O)C#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
FFAR1 O14842 7/20 0.50
FFAR4 Q5NUL3 2/20 0.50
VCP P55072 1/20 0.48
APP P05067 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HSP90AA1 P07900 2/20 0.47
AGTR1 P30556 1/20 0.47
PAX8 Q06710 1/20 0.47
TLR9 Q9NR96 1/20 0.47
PAM P19021 1/20 0.47
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5618885 0.94 FFAR1 (0.55) NPSR1FFAR1FFAR4VCPRAB9A
SCHEMBL16803423 0.91 NPSR1 (0.50) NPSR1FFAR1FFAR4VCPAPP
SCHEMBL14969612 0.88 NPC1 (0.54) NPSR1FFAR1FFAR4VCPAPP
SCHEMBL16803426 0.86 NPSR1 (0.53) NPSR1FFAR1FFAR4VCPAPP
SCHEMBL16803392 0.85 NPSR1 (0.44) NPSR1FFAR1FFAR4VCPAPP
SCHEMBL2124714 0.85 NPSR1 (0.49) NPSR1FFAR1FFAR4VCPNPC1
SCHEMBL13433282 0.83 NPSR1 (0.47) NPSR1FFAR1FFAR4VCPNPC1
SCHEMBL2123773 0.83 NPSR1 (0.55) NPSR1FFAR1FFAR4VCPAPP
SCHEMBL6312804 0.83 NPSR1 (0.50) NPSR1FFAR1FFAR4VCPAPP
SCHEMBL16803357 0.83 FFAR1 (0.52) NPSR1FFAR1FFAR4VCPAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 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-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species SOD1, SOD3, APEX1 NPSR1 1763/4885FFAR1 692/4885FFAR4 700/4885

“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.