SCHEMBL1264259

SCHEMBL1264259

OCCCCCCCCCCCCCCCCCCc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.53
SPHK2 Q9NRA0 6/20 0.47
SPHK1 Q9NYA1 6/20 0.47
CYP4A11 Q02928 2/20 0.47
CYP4F2 P78329 1/20 0.47
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL16414588 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL2314633 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL16414974 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL16414735 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL15352379 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL1263897 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL7596180 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL16414507 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL16415200 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL2307575 0.98 CA2 (0.52) CA2SPHK2SPHK1CYP4A11CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579406-B2 Phospholipid ether analogs as agents for detecting and locating cancer, and methods thereof CELLECTAR BIOSCIENCES, INC. (US) 2017-02-28 US disclosed
US-9550002-B2 Phospholipid analogs as diapeutic agents and methods thereof CELLECTAR BIOSCIENCES, INC. (US) 2017-01-24 US disclosed
US-9550002-B2 Phospholipid analogs as diapeutic agents and methods thereof CELLECTAR BIOSCIENCES, INC. (US) 2017-01-24 US disclosed
US-20150093330-A1 PHOSPHOLIPID ANALOGS AS DIAPEUTIC AGENTS AND METHODS THEREOF CELLECTAR, INC. (US) 2015-04-02 US disclosed
US-20150093330-A1 PHOSPHOLIPID ANALOGS AS DIAPEUTIC AGENTS AND METHODS THEREOF CELLECTAR, INC. (US) 2015-04-02 US disclosed
US-20150030538-A1 PHOSPHOLIPID ETHER ANALOGS AS AGENTS FOR DETECTING AND LOCATING CANCER, AND METHODS THEREOF CELLECTAR, INC. (US) 2015-01-29 US disclosed
US-8877160-B2 Phospholipid ether analogs as agents for detecting and locating cancer, and methods thereof CELLECTAR, INC. (US) 2014-11-04 US disclosed
US-8877159-B2 Phospholipid analogs as diapeutic agents and methods thereof CELLECTAR, INC. (US) 2014-11-04 US disclosed
US-8877159-B2 Phospholipid analogs as diapeutic agents and methods thereof CELLECTAR, INC. (US) 2014-11-04 US disclosed
US-20140030187-A1 PHOSPHOLIPID ETHER ANALOGS AS AGENTS FOR DETECTING AND LOCATING CANCER, AND METHODS THEREOF CELLECTAR, INC. (US) 2014-01-30 US disclosed
US-20070098633-A2 administering radiolabeled 18-(4-iodophenyl)-octadecylphosphocholine, using computed tomography/positron emission tomography or magnetic resonance imaging to produce visualization of three-dimensional morphology of selected region suspected, giving both anatomical and functional information CELLECTAR, LLC (US) 2007-05-03 US disclosed
EP-1773408-A2 VIRTUAL COLONOSCOPY WITH RADIOLABELED PHOSPHOLIPID ETHER ANALOGS CELLECTAR, LLC (US) 2007-04-18 EP disclosed
US-20070020178-A1 For detecting and locating recurrence of cancer, radiation and drug resistance, and/or metastasis CELLECTAR, LLC 2007-01-25 US disclosed
WO-2006014589-A2 VIRTUAL COLONOSCOPY WITH RADIOLABELED PHOSPHOLIPID ETHER ANALOGS CELLECTAR, LLC (US) 2006-02-09 WO disclosed
US-20060013767-A1 Virtual colonoscopy with radiolabeled phospholipid ether analogs CELLECTAR, LLC (US) 2006-01-19 US disclosed
US-20050196339-A1 For detecting and locating recurrence of cancer, radiation and drug resistance, and/or metastasis CELLECTAR, LLC (US) 2005-09-08 US disclosed
US-6417384-B1 SUPERIOR IMAGING AND VISUALIZATION OF NEOPLASTIC LESIONS; TUMOR-SPECIFIC CYTOTOXIC CANCER THERAPY, DIAGNOSIS AND TREATMENT THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-09 US disclosed
US-20020065429-A1 Radioiodinated phospholipid ether analogs and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-05-30 US disclosed
US-6255519-B1 RADIOLABELLED PHARMACEUTICALS AND BIOLOGICAL PROBES UEFUL IN CANCER DIAGNOSIS AND TREATMENT; IMAGING TECHNOLOGY REGENTS OF THE UNIVERSITY OF MICHIGAN 2001-07-03 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 (8 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-20150030538-A1 PHOSPHOLIPID ETHER ANALOGS AS AGENTS FOR DETECTING AND LOCATING CANCER, AND METHODS THEREOF PHOSPHO1, LPAR3, PNLIP CA2 2351/4885SPHK2 142/4885SPHK1 177/4885
US-20020065429-A1 Radioiodinated phospholipid ether analogs and methods of using the same PHOSPHO1, CDIPT, LPCAT3 CA2 4179/4885SPHK2 135/4885SPHK1 158/4885
US-20070020178-A1 For detecting and locating recurrence of cancer, radiation and drug resistance, and/or metastasis RB1, LRAT, LPAR3 CA2 1976/4885SPHK2 188/4885SPHK1 257/4885
US-20140030187-A1 PHOSPHOLIPID ETHER ANALOGS AS AGENTS FOR DETECTING AND LOCATING CANCER, AND METHODS THEREOF PHOSPHO1, LPAR3, PNLIP CA2 2351/4885SPHK2 142/4885SPHK1 177/4885
US-20150093330-A1 PHOSPHOLIPID ANALOGS AS DIAPEUTIC AGENTS AND METHODS THEREOF PHOSPHO1, SGMS1, CDIPT CA2 3617/4885SPHK2 366/4885SPHK1 329/4885
US-20070098633-A2 administering radiolabeled 18-(4-iodophenyl)-octadecylphosphocholine, using computed tomography/positron emission tomography or magnetic resonance imaging to produce visualization of three-dimensional morphology of selected region suspected, giving both anatomical and functional information PHOSPHO1, APC, LPCAT3 CA2 2551/4885SPHK2 242/4885SPHK1 244/4885
US-20050196339-A1 For detecting and locating recurrence of cancer, radiation and drug resistance, and/or metastasis LPCAT3, LPAR3, LPAR4 CA2 3560/4885SPHK2 126/4885SPHK1 128/4885
US-20060013767-A1 Virtual colonoscopy with radiolabeled phospholipid ether analogs PHOSPHO1, APC, NAPEPLD CA2 3839/4885SPHK2 534/4885SPHK1 609/4885

“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.