SCHEMBL448483

SCHEMBL448483

OCCN(Cc1ccc(OCc2ccccc2)cc1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53
BCHE P06276 8/20 0.53
CYSLTR1 Q9Y271 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALOX5 P09917 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
FFAR1 O14842 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL451492 0.95 BCHE (0.56) LTA4HEPHX2BCHECYSLTR1PPARG
SCHEMBL451613 0.94 HTT (0.49) BCHECYSLTR1HTTFFAR1S1PR1
SCHEMBL447970 0.91 BCHE (0.52) LTA4HEPHX2BCHECYSLTR1HTT
SCHEMBL449447 0.91 RAF1 (0.49) LTA4HEPHX2BCHECYSLTR1
SCHEMBL449317 0.91 BCHE (0.54) BCHEPPARGPPARA
SCHEMBL451774 0.91 BCHE (0.54) BCHEPPARGPPARA
SCHEMBL451860 0.90 TSHR (0.49) BCHECYSLTR1PPARGPPARAHTT
SCHEMBL452358 0.89 TDP1 (0.49) BCHEL3MBTL1HTT
SCHEMBL451372 0.89 HTT (0.50) BCHECYSLTR1HTTFFAR1S1PR1
SCHEMBL451644 0.89 BCHE (0.44) BCHECYSLTR1HTTFFAR1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA LTA4H 424/4885EPHX2 474/4885BCHE 3683/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 LTA4H 462/4885EPHX2 525/4885BCHE 3570/4885

“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.