SCHEMBL451372

SCHEMBL451372

OCCN(Cc1ccc(F)cc1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
BCHE P06276 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR2 O43614 1/20 0.42
KCNA5 P22460 1/20 0.42
FFAR1 O14842 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
FNTA P49354 1/20 0.41
PGGT1B P53609 1/20 0.41
SLC2A4 P14672 1/20 0.41
SLC2A8 Q9NY64 1/20 0.41

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 0.94 HTT (0.49) HTTBCHEMEN1KMT2AKCNA5
SCHEMBL451365 0.93 HTT (0.46) HTTBCHEMEN1KMT2AKCNA5
SCHEMBL447970 0.91 BCHE (0.52) HTTBCHEKCNA5FFAR1CYSLTR1
SCHEMBL451860 0.90 TSHR (0.49) HTTBCHEKCNA5FFAR1CYSLTR1
SCHEMBL452358 0.89 TDP1 (0.49) HTTBCHE
SCHEMBL448483 0.89 LTA4H (0.53) HTTBCHEFFAR1CYSLTR1S1PR1
SCHEMBL450213 0.89 MEN1 (0.46) HTTBCHEMEN1KMT2AKCNA5
SCHEMBL453207 0.89 MEN1 (0.54) HTTBCHEMEN1KMT2AKCNA5
SCHEMBL451774 0.88 BCHE (0.54) BCHEMEN1KMT2A
SCHEMBL449317 0.88 BCHE (0.54) BCHEMEN1KMT2A

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 HTT 4875/4885BCHE 3683/4885MEN1 1245/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 HTT 4874/4885BCHE 3570/4885MEN1 1153/4885

“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.