SCHEMBL449531

SCHEMBL449531

OCCN(Cc1ccncc1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.47
SLC2A1 P11166 4/20 0.47
LTA4H P09960 1/20 0.44
HTT P42858 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.43
BCHE P06276 3/20 0.43
SLC2A4 P14672 2/20 0.43
SLC2A8 Q9NY64 1/20 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
SCHEMBL451613 0.94 HTT (0.49) KCNA5HTTCYSLTR1BCHE
SCHEMBL447970 0.90 BCHE (0.52) KCNA5LTA4HHTTCYSLTR1BCHE
SCHEMBL451860 0.89 TSHR (0.49) KCNA5HTTCYSLTR1BCHE
SCHEMBL448483 0.88 LTA4H (0.53) LTA4HHTTCYSLTR1BCHE
SCHEMBL451372 0.88 HTT (0.50) KCNA5HTTCYSLTR1BCHESLC2A4
SCHEMBL452358 0.88 TDP1 (0.49) SLC2A1HTTBCHE
SCHEMBL453207 0.88 MEN1 (0.54) KCNA5HTTCYSLTR1BCHE
SCHEMBL449317 0.88 BCHE (0.54) BCHE
SCHEMBL451774 0.88 BCHE (0.54) BCHE
SCHEMBL452242 0.87 APP (0.48) KCNA5HTTBCHE

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 KCNA5 1164/4885SLC2A1 3784/4885LTA4H 424/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 KCNA5 1261/4885SLC2A1 3976/4885LTA4H 462/4885

“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.