SCHEMBL450630

SCHEMBL450630

COc1ccc(OC)c(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
F2 P00734 1/20 0.45
ELANE P08246 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
S1PR1 P21453 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MTNR1B P49286 1/20 0.42
BCHE P06276 2/20 0.42

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
SCHEMBL447914 0.94 ALDH1A1 (0.52) ACHEF2ELANEL3MBTL1S1PR1
SCHEMBL452122 0.90 TSHR (0.50) ACHEMAOAMAOBALDH1A1TSHR
SCHEMBL452358 0.90 TDP1 (0.49) L3MBTL1MAOAMAOBALDH1A1TSHR
SCHEMBL453701 0.90 ACHE (0.43) ACHEL3MBTL1S1PR1MAOAMAOB
SCHEMBL448608 0.89 NR1H3 (0.50) ACHEL3MBTL1S1PR1BCHE
SCHEMBL449063 0.89 S1PR1 (0.44) ACHEL3MBTL1S1PR1MAOAMAOB
SCHEMBL448844 0.88 BCHE (0.51) BCHE
SCHEMBL448898 0.88 MEN1 (0.53) ACHEL3MBTL1KDM4EMTNR1BBCHE
SCHEMBL453756 0.88 L3MBTL1 (0.45) ACHEL3MBTL1S1PR1BCHE
SCHEMBL450745 0.88 ACHE (0.43) ACHEL3MBTL1S1PR1MAOAMAOB

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 ACHE 4249/4885F2 965/4885ELANE 282/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 ACHE 4142/4885F2 1099/4885ELANE 349/4885

“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.