SCHEMBL451124

SCHEMBL451124

O=C(CCc1ccc(OCCCCCc2ccccc2)cc1)Nc1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
FFAR1 O14842 2/20 0.58
NR1H4 Q96RI1 1/20 0.58
CNR2 P34972 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
S1PR1 P21453 3/20 0.54
CNR1 P21554 1/20 0.54
NLRP3 Q96P20 1/20 0.54
S1PR3 Q99500 1/20 0.54
S1PR5 Q9H228 1/20 0.54
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
LTA4H P09960 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
EPHX2 P34913 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL450128 0.90 FFAR1 (0.68) MAPTGAAFFAR1NR1H4CNR2
SCHEMBL4657024 0.89 NR1H4 (0.74) MAPTGAAFFAR1NR1H4RAB9A
SCHEMBL987837 0.88 FFAR1 (0.60) MAPTGAAFFAR1NR1H4CNR2
SCHEMBL449809 0.87 RAB9A (0.68) MAPTGAAFFAR1NR1H4RAB9A
SCHEMBL450120 0.86 LMNA (0.58) MAPTGAAFFAR1NR1H4RAB9A
SCHEMBL4658301 0.86 NR1H4 (0.64) MAPTGAAFFAR1NR1H4RAB9A
SCHEMBL450311 0.84 KMT2A (0.62) MAPTGAAFFAR1NR1H4RAB9A
SCHEMBL4656989 0.84 FFAR1 (0.55) MAPTGAAFFAR1NR1H4CNR2
SCHEMBL4657977 0.83 FFAR1 (0.57) MAPTGAAFFAR1NR1H4RAB9A
SCHEMBL4658325 0.83 FFAR1 (0.57) MAPTGAAFFAR1NR1H4RAB9A

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 MAPT 4757/4885GAA 4541/4885FFAR1 50/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 MAPT 4767/4885GAA 4672/4885FFAR1 57/4885

“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.