SCHEMBL744377

SCHEMBL744377

CCCCCCCCCCCCCCCCCCC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.59
PTPN1 P18031 1/20 0.48
FDPS P14324 3/20 0.46
S1PR2 O95136 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR4 O95977 4/20 0.44
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
LAP3 P28838 1/20 0.43
MEN1 O00255 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL1044719 1.00 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL596695 1.00 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL5481597 1.00 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL27542771 1.00 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL27835477 1.00 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL27699114 1.00 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
Water SCHEMBL27411638 0.98 SMPD1 (0.57) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL8160746 0.98 SMPD1 (0.56) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL4064805 0.91 SMPD1 (0.50) SMPD1PTPN1S1PR2S1PR1S1PR3
SCHEMBL3332099 0.91 SMPD1 (0.50) SMPD1PTPN1S1PR2S1PR1S1PR3

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374805-A Organic derivatives, their salts and use for the control of phytopathogens ISAGRO SPA (IT) 2009-02-25 CN claimed
CN-120166902-A Method for preparing metal oxide material, photoelectric device and electronic equipment comprising metal oxide material 广东聚华新型显示研究院 2025-06-17 CN disclosed
US-11439709-B2 Phospholipid ether analogs as cancer-targeting drug vehicles CELLECTAR BIOSCIENCES, INC. (US) 2022-09-13 US disclosed
US-9616140-B2 Fluorescent phospholipid ether compounds, compositions, and methods of use CELLECTAR BIOSCIENCES, INC. (US) 2017-04-11 US disclosed
WO-2015193669-A1 DIAGNOSTIC AND THERAPEUTIC METHOD INVOLVING THE AUTOTAXIN-LYSOPHOSPHATIDIC ACID SIGNALLING PATHWAY BABRAHAM INSTITUTE (GB) 2015-12-23 WO disclosed
EP-2429591-B1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CELLECTAR INC (US) 2015-08-26 EP disclosed
US-20150044142-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CELLECTAR, INC. (US) 2015-02-12 US disclosed
US-8871181-B2 Fluorescent phospholipid ether compounds, compositions, and methods of use CELLECTAR, INC. (US) 2014-10-28 US disclosed
CN-101374805-B Organic derivatives, their salts and use for the control of phytopathogens ISAGRO SPA 2013-10-16 CN disclosed
CN-101909581-B Sterol-modified amphiphilic lipids UNIV CALIFORNIA 2012-11-14 CN disclosed
US-20100286510-A1 USE OF FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS IN BIOPSIES CELL ACQUISITION CORP. 2010-11-11 US disclosed
US-20100284931-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CELL ACQUISITION CORP. 2010-11-11 US disclosed
US-20100284929-A1 FLUORESCENT IMAGING OF TUMORS USING PHOSPHOLIPID ETHER COMPOUNDS CELL ACQUISITION CORP. 2010-11-11 US disclosed
US-20100284930-A1 FLUORESCENT IMAGING OF SKIN CANCERS USING PHOSPHOLIPID ETHER COMPOUNDS CELL ACQUISITION CORP. 2010-11-11 US disclosed
US-7811548-B1 Fluorescent phospholipid ether compounds and compositions CELLECTAR, INC. (US) 2010-10-12 US disclosed
CN-101374805-A Organic derivatives, their salts and use for the control of phytopathogens ISAGRO SPA (IT) 2009-02-25 CN disclosed
CN-1426311-A Medicament for stimulation of leucopoiesis and treatment of tumour and protozoan diseases acarinosis and arthropod-borne diseases and method for production thereof MAX PLANCK GES ZUR FUEDERUNG D (DE) 2003-06-25 CN disclosed
US-6506393-B2 Administering phosphocholine compound; leishmaniasis treatment ZENTARIS AG (DE) 2003-01-14 US disclosed
US-20010008885-A1 Methods of treating protozoal diseases MAX-PLANCK-GESSELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E. V. 2001-07-19 US disclosed
WO-1998024480-A1 RADIOIODINATED PHOSPHOLIPID ETHER ANALOGS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-06-11 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 (6 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-20150044142-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PHOSPHO1, SGMS2, SGMS1 SMPD1 49/4885PTPN1 3853/4885FDPS 433/4885
US-20010008885-A1 Methods of treating protozoal diseases HRH2, HRH1, HRH4 SMPD1 300/4885PTPN1 4178/4885FDPS 1988/4885
US-20100286510-A1 USE OF FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS IN BIOPSIES PHOSPHO1, SGMS2, SGMS1 SMPD1 22/4885PTPN1 3279/4885FDPS 439/4885
US-11439709-B2 Phospholipid ether analogs as cancer-targeting drug vehicles PHOSPHO1, MCL1, LPCAT3 SMPD1 44/4885PTPN1 2775/4885FDPS 1622/4885
US-20100284931-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PHOSPHO1, SGMS1, SGMS2 SMPD1 65/4885PTPN1 3879/4885FDPS 426/4885
US-20100284929-A1 FLUORESCENT IMAGING OF TUMORS USING PHOSPHOLIPID ETHER COMPOUNDS PHOSPHO1, PEBP1, SGMS1 SMPD1 67/4885PTPN1 3669/4885FDPS 298/4885

“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.