SCHEMBL5432178

SCHEMBL5432178

CCCCCCCCCCCCC(CCP(=O)(O)O)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.54
S1PR1 P21453 5/20 0.54
S1PR3 Q99500 5/20 0.54
S1PR4 O95977 4/20 0.54
FDPS P14324 4/20 0.49
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48
CPB2 Q96IY4 1/20 0.46
LAP3 P28838 2/20 0.46
SMPD1 P17405 3/20 0.45

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
SCHEMBL27788504 0.89 S1PR2 (0.53) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL5027814 0.88 CYP2D6 (0.46) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL571313 0.86 CPB2 (0.58) CPB2
SCHEMBL6899785 0.86 CPB2 (0.58) CPB2
SCHEMBL3454038 0.86 CPB2 (0.58) CPB2
SCHEMBL25341592 0.86 CPB2 (0.58) CPB2
SCHEMBL19148651 0.86 CPB2 (0.58) CPB2
SCHEMBL5580131 0.86 CPB2 (0.58) CPB2
SCHEMBL18531126 0.86 CPB2 (0.58) CPB2
SCHEMBL23879492 0.86 CPB2 (0.58) CPB2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309721-B2 Immunosuppressants for treating diseases and conditions of bone marrow, organ and tissue transplant rejection; chemotherapeutic drug for cancers; antiinflammatory agents for rheumatoid arthritis; activate the production of lymphocyte; 2-Amino-4-(4-(octylphenyl))butanol, O-phosphate MERCK + CO., INC. (US) 2007-12-18 US disclosed
US-20070224263-A1 Aminoalkylphosphonates and related compounds as Edg receptor agonists DOHERTY GEORGE A 2007-09-27 US disclosed
US-20060089334-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists MERCK & CO., INC. 2006-04-27 US disclosed
EP-1482896-A4 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-11-23 EP disclosed
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists DOHERTY GEORGE A (US) 2005-05-19 US disclosed
EP-1482895-A4 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
EP-1482896-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-12-08 EP disclosed
EP-1482895-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-12-08 EP disclosed
WO-2003074008-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 WO disclosed
WO-2003073986-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 WO 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 (3 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-20060089334-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists ADGRF1, EDNRA, ADGRE5 S1PR2 165/4885S1PR1 71/4885S1PR3 70/4885
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists EDNRA, ADGRE5, ADGRF1 S1PR2 147/4885S1PR1 90/4885S1PR3 80/4885
US-20070224263-A1 Aminoalkylphosphonates and related compounds as Edg receptor agonists ADGRE5, EDNRA, ADGRF1 S1PR2 169/4885S1PR1 144/4885S1PR3 128/4885

“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.