SCHEMBL451009

SCHEMBL451009

Cc1ccc(C(C)CCN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)o1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.42
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
KCNA5 P22460 1/20 0.40
ACHE P22303 5/20 0.39
FAAH O00519 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL448842 0.85 HDAC3 (0.43) BCHEPPARGPPARAKCNA5ACHE
SCHEMBL447970 0.84 BCHE (0.52) BCHEKCNA5MAOBTSHRHSD17B10
SCHEMBL451818 0.81 BCHE (0.62) BCHEKCNA5MAOBTSHRHSD17B10
SCHEMBL451613 0.81 HTT (0.49) BCHEKCNA5MAOB
SCHEMBL449470 0.80 BCHE (0.64) BCHEKCNA5TSHRHSD17B10
SCHEMBL447899 0.80 BCHE (0.46) BCHEPPARGPPARAKCNA5ACHE
SCHEMBL453975 0.79 BCHE (0.42) BCHEKCNA5ACHEMAOBTSHR
SCHEMBL452358 0.79 TDP1 (0.49) BCHEMAOAMAOBTSHR
SCHEMBL448077 0.78 MTNR1A (0.45) BCHEPPARGPPARAKCNA5MAOB
SCHEMBL449223 0.78 BCHE (0.44) BCHEPPARGPPARAKCNA5MAOA

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 BCHE 3683/4885PPARG 2164/4885PPARA 1804/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 BCHE 3570/4885PPARG 2217/4885PPARA 1684/4885

“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.