SCHEMBL286920

SCHEMBL286920

CCCCCCc1nc2ccccc2cc1Br

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.54
KCNH2 Q12809 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
DHFR P00374 1/20 0.40
TRPV1 Q8NER1 4/20 0.40

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
SCHEMBL27870558 0.83 TLR8 (0.68) TLR8KCNH2
SCHEMBL28793625 0.83 TLR8 (0.68) TLR8KCNH2
SCHEMBL28743898 0.81 TLR8 (0.61) TLR8DHFR
SCHEMBL133672 0.81 TLR8 (0.54) TLR8KCNH2TRPV1
SCHEMBL287399 0.81 TLR8 (0.61) TLR8DHFR
SCHEMBL2514453 0.81 TLR8 (0.56) TLR8KCNH2TDP1
SCHEMBL31463622 0.81 PIK3CD (0.43) TLR8TDP1
SCHEMBL3390064 0.81 PIK3CD (0.43) TLR8TDP1
SCHEMBL168398 0.81 TLR8 (0.69) TLR8
SCHEMBL4587074 0.80 TDP1 (0.48) TLR8TDP1

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 7 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
EP-2427430-B1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS UNIV MCGILL (CA) 2014-09-10 EP 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
EP-2427430-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS The Royal Institution for the Advancement of Learning / McGill University (CA) 2012-03-14 EP disclosed
WO-2010127452-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2010-11-11 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 (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 TLR8 276/4885KCNH2 2278/4885TDP1 3566/4885
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA TLR8 276/4885KCNH2 2278/4885TDP1 3566/4885

“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.