SCHEMBL449447

SCHEMBL449447

OCCN(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.49
MAP2K1 Q02750 2/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
BCHE P06276 8/20 0.44
CYSLTR1 Q9Y271 1/20 0.42
C5AR1 P21730 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 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
SCHEMBL448898 0.94 MEN1 (0.53) RAF1MAP2K1MEN1KMT2ABCHE
SCHEMBL448483 0.91 LTA4H (0.53) LTA4HEPHX2BCHECYSLTR1
SCHEMBL451492 0.90 BCHE (0.56) LTA4HEPHX2BCHECYSLTR1
SCHEMBL451613 0.90 HTT (0.49) MEN1KMT2ABCHECYSLTR1
SCHEMBL447970 0.88 BCHE (0.52) LTA4HEPHX2BCHECYSLTR1
SCHEMBL453801 0.86 TDP1 (0.48) LTA4HEPHX2BCHECYSLTR1
SCHEMBL451860 0.85 TSHR (0.49) BCHECYSLTR1
SCHEMBL452358 0.85 TDP1 (0.49) BCHE
SCHEMBL451372 0.85 HTT (0.50) MEN1KMT2ABCHECYSLTR1
SCHEMBL447899 0.85 BCHE (0.46) BCHECYSLTR1

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 RAF1 1338/4885MAP2K1 2904/4885MEN1 1245/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 RAF1 1358/4885MAP2K1 3096/4885MEN1 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.