SCHEMBL4570520

SCHEMBL4570520

CCCCCCc1cc2ccccc2n1CCCOC=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 9/20 0.46
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
PLA2G4A P47712 1/20 0.39
CNR2 P34972 4/20 0.39
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
TLR8 Q9NR97 1/20 0.37
MCL1 Q07820 2/20 0.36
PPARG P37231 1/20 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
SCHEMBL3847993 0.83 OXER1 (0.51) OXER1AGTR1AGTR2CNR2TLR8
SCHEMBL10413631 0.79 TLR8 (0.49) OXER1AGTR1AGTR2CNR2TLR8
SCHEMBL28047369 0.79 AGTR1 (0.51) OXER1AGTR1AGTR2RORARORC
SCHEMBL4570519 0.78 OXER1 (0.69) OXER1
SCHEMBL287205 0.78 OXER1 (0.69) OXER1AGTR1AGTR2
SCHEMBL8426489 0.75 TLR8 (0.50) OXER1CNR2TLR8
SCHEMBL10412903 0.75 TLR8 (0.50) OXER1CNR2TLR8
SCHEMBL10693099 0.75 TLR8 (0.50) OXER1CNR2TLR8
SCHEMBL21278119 0.73 TLR8 (0.49) OXER1CNR2TLR8
SCHEMBL3696937 0.73 OXER1 (0.54) OXER1

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
US-9464048-B2 5-oxo-ETE receptor antagonist compounds FLORIDA INSTITUTE OF TECHNOLOGY (US) 2016-10-11 US disclosed
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-10-30 US disclosed
US-8809382-B2 5-oxo-ETE receptor antagonist compounds THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-08-19 US disclosed
US-20120122942-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS FLORIDA INSTITUTE OF TECHNOLOGY 2012-05-17 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-20120122942-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA OXER1 1/4885AGTR1 155/4885AGTR2 152/4885
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA OXER1 1/4885AGTR1 155/4885AGTR2 152/4885

“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.