SCHEMBL453010

SCHEMBL453010

O=C(CCc1ccc(OCCCCCc2ccccc2)cc1)NCCO

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.65
S1PR1 P21453 4/20 0.62
S1PR3 Q99500 2/20 0.62
S1PR5 Q9H228 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CNR2 P34972 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC1 Q13547 1/20 0.52

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
SCHEMBL451112 0.91 FFAR1 (0.60) FFAR1S1PR1S1PR3S1PR5TAAR1
SCHEMBL4656968 0.90 S1PR1 (0.73) FFAR1S1PR1S1PR3S1PR5TAAR1
SCHEMBL4657091 0.89 FFAR1 (0.71) FFAR1S1PR1S1PR3S1PR5TAAR1
SCHEMBL950975 0.86 FFAR1 (0.71) FFAR1S1PR1S1PR3S1PR5TAAR1
SCHEMBL3681101 0.82 CNR2 (0.68) KDM4ELMNAL3MBTL1CNR2KMT2A
SCHEMBL4656938 0.82 S1PR1 (0.65) FFAR1S1PR1S1PR3S1PR5TAAR1
SCHEMBL450128 0.82 FFAR1 (0.68) FFAR1S1PR1S1PR3S1PR5CNR2
SCHEMBL8383194 0.82 TAAR1 (0.52) FFAR1TAAR1KDM4ELMNACNR2
SCHEMBL4656572 0.81 FFAR1 (0.97) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL450515 0.80 HPGD (0.73) FFAR1S1PR1S1PR3S1PR5LMNA

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 50/4885S1PR1 1/4885S1PR3 2/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885S1PR1 1/4885S1PR3 3/4885

“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.