SCHEMBL451122

SCHEMBL451122

O=C(O)C=Cc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.61
FFAR1 O14842 2/20 0.61
S1PR3 Q99500 4/20 0.60
PPARA Q07869 2/20 0.57
GSK3B P49841 1/20 0.56
BACE1 P56817 1/20 0.56
PPARG P37231 1/20 0.55
PLA2G4B P0C869 1/20 0.54
AKR1B10 O60218 1/20 0.54
AKR1B1 P15121 1/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL451121 1.00 S1PR1 (0.61) S1PR1FFAR1S1PR3PPARAGSK3B
SCHEMBL1449039 0.91 FFAR1 (0.59) FFAR1PPARAGSK3BBACE1PPARG
SCHEMBL1449041 0.91 FFAR1 (0.59) FFAR1PPARAGSK3BBACE1PPARG
SCHEMBL4509890 0.90 PPARA (0.65) FFAR1PPARAGSK3BBACE1KMT2A
SCHEMBL4509884 0.90 PPARA (0.65) FFAR1PPARAGSK3BBACE1KMT2A
SCHEMBL3105287 0.86 HDAC1 (0.62) FFAR1AKR1B10AKR1B1ALDH1A1LMNA
SCHEMBL3105298 0.86 HDAC1 (0.62) FFAR1AKR1B10AKR1B1ALDH1A1LMNA
SCHEMBL11684594 0.85 THRB (0.62) PPARAAKR1B10AKR1B1
SCHEMBL4657195 0.83 LMNA (0.61) S1PR1FFAR1S1PR3PPARAGSK3B
SCHEMBL4657194 0.83 LMNA (0.61) S1PR1FFAR1S1PR3PPARAGSK3B

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