SCHEMBL286917

SCHEMBL286917

CCCCCCc1ccc2ccn(C(=O)CCCC(=O)O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 12/20 1.00
S1PR1 P21453 4/20 0.58
S1PR3 Q99500 3/20 0.46
S1PR2 O95136 2/20 0.46
KAT8 Q9H7Z6 2/20 0.43

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
SCHEMBL286901 0.91 OXER1 (1.00) OXER1S1PR1S1PR3S1PR2
SCHEMBL3706956 0.74 OXER1 (1.00) OXER1KAT8
SCHEMBL7820706 0.73 S1PR1 (0.71) S1PR1S1PR3S1PR2
SCHEMBL711608 0.73 S1PR1 (0.71) S1PR1S1PR3S1PR2
SCHEMBL25170021 0.73 S1PR1 (0.71) S1PR1S1PR3S1PR2
SCHEMBL25167617 0.73 S1PR1 (0.71) S1PR1S1PR3S1PR2
SCHEMBL6151349 0.73 S1PR1 (0.71) S1PR1S1PR3S1PR2
SCHEMBL879250 0.73 S1PR1 (0.71) S1PR1S1PR3S1PR2
SCHEMBL10523184 0.73 S1PR1 (0.71) S1PR1S1PR3S1PR2
SCHEMBL10845802 0.73 S1PR1 (0.71) S1PR1S1PR3S1PR2

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 17 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-9464048-B2 5-oxo-ETE receptor antagonist compounds FLORIDA INSTITUTE OF TECHNOLOGY (US) 2016-10-11 US disclosed
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-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-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
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-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-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
US-20120122942-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS FLORIDA INSTITUTE OF TECHNOLOGY 2012-05-17 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
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 OXER1 1/4885S1PR1 175/4885S1PR3 183/4885
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA OXER1 1/4885S1PR1 175/4885S1PR3 183/4885

“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.