SCHEMBL449927

SCHEMBL449927

CN(CCO)C(=O)CCc1ccc(OCCCCCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.62
LTB4R Q15722 8/20 0.61
LTB4R2 Q9NPC1 8/20 0.61
S1PR1 P21453 3/20 0.54
S1PR3 Q99500 1/20 0.54
S1PR5 Q9H228 1/20 0.54
PLA2G4B P0C869 1/20 0.50
KMT2A Q03164 1/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL4657997 0.87 FFAR1 (0.67) FFAR1LTB4RLTB4R2S1PR1S1PR3
SCHEMBL9123676 0.84 LTB4R (0.58) FFAR1LTB4RLTB4R2KMT2ALTA4H
SCHEMBL4656572 0.79 FFAR1 (0.97) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL1746597 0.78 FFAR1 (1.00) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL8500544 0.77 FFAR1 (0.67) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL4659369 0.77 LTA4H (0.73) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL4658080 0.77 FFAR1 (0.72) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL9120626 0.77 LTB4R (0.53) FFAR1LTB4RLTB4R2S1PR1S1PR3
SCHEMBL4657988 0.77 FFAR1 (0.76) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL4657720 0.77 FFAR1 (0.76) FFAR1S1PR1S1PR3S1PR5PLA2G4B

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 FFAR1 50/4885LTB4R 37/4885LTB4R2 59/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885LTB4R 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.