SCHEMBL447899

SCHEMBL447899

Cc1cccc(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
KCNA5 P22460 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ACHE P22303 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 1/20 0.42
CYSLTR1 Q9Y271 1/20 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
SCHEMBL451613 0.92 HTT (0.49) BCHEKCNA5HTTFFAR1CYSLTR1
SCHEMBL447970 0.91 BCHE (0.52) BCHEKCNA5TSHRHSD17B10HTT
SCHEMBL452122 0.90 TSHR (0.50) BCHEPPARGPPARATSHRHSD17B10
SCHEMBL452358 0.89 TDP1 (0.49) BCHETSHRHTT
SCHEMBL448077 0.89 MTNR1A (0.45) BCHEPPARGPPARAKCNA5MTNR1A
SCHEMBL450968 0.88 TSHR (0.56) BCHEPPARGPPARATSHRHSD17B10
SCHEMBL449317 0.88 BCHE (0.54) BCHEPPARGPPARATSHRHSD17B10
SCHEMBL451774 0.88 BCHE (0.54) BCHEPPARGPPARATSHRHSD17B10
SCHEMBL451365 0.88 HTT (0.46) BCHEPPARGPPARAKCNA5ACHE
SCHEMBL451492 0.88 BCHE (0.56) BCHEPPARGPPARATSHRHSD17B10

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 3683/4885LTB4R 37/4885LTB4R2 59/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 BCHE 3570/4885LTB4R 35/4885LTB4R2 58/4885

“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.