SCHEMBL287209

SCHEMBL287209

CCCC/C=C/c1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
MAPT P10636 2/20 0.48
IDO1 P14902 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ATP6V1B1 P15313 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL287210 1.00 CYP2A6 (0.49) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL29933771 0.95 CYP2A6 (0.47) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL9837473 0.95 CYP2A6 (0.47) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL9837467 0.95 CYP2A6 (0.47) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL287240 0.94 CYP2A6 (0.46) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL16677011 0.94 CYP2A6 (0.46) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL3699452 0.94 CYP2A6 (0.46) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL287241 0.94 CYP2A6 (0.46) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL3699449 0.94 CYP2A6 (0.46) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL10105480 0.83 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2

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 10 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
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 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 (3 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 CYP2A6 883/4885MAPT 4758/4885IDO1 314/4885
US-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN CYP2A6 124/4885MAPT 4661/4885IDO1 67/4885
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA CYP2A6 883/4885MAPT 4758/4885IDO1 314/4885

“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.