SCHEMBL451492

SCHEMBL451492

OCCN(Cc1cccc(OCc2ccccc2)c1)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.56
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
FFAR1 O14842 2/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MGLL Q99685 1/20 0.44

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
SCHEMBL448483 0.95 LTA4H (0.53) BCHELTA4HEPHX2PPARGPPARA
SCHEMBL450968 0.92 TSHR (0.56) BCHEPPARGPPARATSHRHSD17B10
SCHEMBL451613 0.91 HTT (0.49) BCHEFFAR1CYSLTR1
SCHEMBL452122 0.91 TSHR (0.50) BCHEPPARGPPARATSHRHSD17B10
SCHEMBL447970 0.90 BCHE (0.52) BCHELTA4HEPHX2FFAR1CYSLTR1
SCHEMBL449447 0.90 RAF1 (0.49) BCHELTA4HEPHX2CYSLTR1
SCHEMBL451860 0.89 TSHR (0.49) BCHEPPARGPPARAFFAR1CYSLTR1
SCHEMBL447899 0.88 BCHE (0.46) BCHEPPARGPPARAFFAR1CYSLTR1
SCHEMBL451365 0.88 HTT (0.46) BCHEPPARGPPARAFFAR1CYSLTR1
SCHEMBL453801 0.88 TDP1 (0.48) BCHELTA4HEPHX2PPARGPPARA

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 BCHE 3683/4885CYP4F2 1035/4885CYP4A11 252/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 BCHE 3570/4885CYP4F2 997/4885CYP4A11 252/4885

“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.