SCHEMBL451365

SCHEMBL451365

OCCN(Cc1cccc(F)c1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MAOB P27338 5/20 0.46
MAOA P21397 4/20 0.46
BCHE P06276 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KCNA5 P22460 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
FFAR1 O14842 1/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ACHE P22303 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 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
SCHEMBL451372 0.93 HTT (0.50) HTTBCHEMEN1KMT2AKCNA5
SCHEMBL451613 0.91 HTT (0.49) HTTMAOBBCHEMEN1KMT2A
SCHEMBL447970 0.90 BCHE (0.52) HTTMAOBBCHEKCNA5CYSLTR1
SCHEMBL447899 0.88 BCHE (0.46) HTTBCHEPPARGPPARAKCNA5
SCHEMBL450968 0.88 TSHR (0.56) BCHEPPARGPPARAACHE
SCHEMBL451492 0.88 BCHE (0.56) BCHEPPARGPPARACYSLTR1FFAR1
SCHEMBL451860 0.87 TSHR (0.49) HTTMAOBBCHEPPARGPPARA
SCHEMBL452122 0.87 TSHR (0.50) MAOBMAOABCHEPPARGPPARA
SCHEMBL448483 0.86 LTA4H (0.53) HTTBCHEPPARGPPARACYSLTR1
SCHEMBL452358 0.86 TDP1 (0.49) HTTMAOBMAOABCHE

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 4875/4885MAOB 2098/4885MAOA 2130/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 HTT 4874/4885MAOB 2137/4885MAOA 2174/4885

“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.