SCHEMBL449063

SCHEMBL449063

COc1cc(OC)c(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.43
ACHE P22303 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BCHE P06276 4/20 0.42
HCRTR2 O43614 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL450745 0.93 ACHE (0.43) S1PR1MAOBMAOAACHEL3MBTL1
SCHEMBL452358 0.90 TDP1 (0.49) MAOBMAOAL3MBTL1BCHETDP1
SCHEMBL447914 0.90 ALDH1A1 (0.52) S1PR1MAOBMAOAACHEL3MBTL1
SCHEMBL450630 0.89 ACHE (0.46) S1PR1MAOBMAOAACHEL3MBTL1
SCHEMBL452122 0.88 TSHR (0.50) MAOBMAOAACHEBCHEALDH1A1
SCHEMBL453756 0.88 L3MBTL1 (0.45) S1PR1ACHEL3MBTL1BCHEHCRTR2
SCHEMBL451613 0.87 HTT (0.49) S1PR1MAOBBCHEKCNA5
SCHEMBL448608 0.87 NR1H3 (0.50) S1PR1ACHEL3MBTL1BCHEHCRTR2
SCHEMBL448898 0.86 MEN1 (0.53) ACHEL3MBTL1BCHE
SCHEMBL447970 0.86 BCHE (0.52) S1PR1MAOBBCHETSHRKCNA5

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 S1PR1 1/4885MAOB 2098/4885MAOA 2130/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885MAOB 2137/4885MAOA 2174/4885

“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.