SCHEMBL3233552

SCHEMBL3233552

CCCCc1ccc(OP(=O)(O)O)c(Cl)c1CCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.39
INPP5A Q14642 4/20 0.39
AKT1 P31749 1/20 0.39
INPP5B P32019 2/20 0.38
CTRC Q99895 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
S1PR1 P21453 6/20 0.35
S1PR3 Q99500 2/20 0.34
TYR P14679 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL32660808 0.89 INPPL1 (0.39) INPPL1INPP5AAKT1INPP5BCTRC
SCHEMBL381664 0.87 INPPL1 (0.42) INPPL1INPP5AAKT1INPP5BCTRC
SCHEMBL31296012 0.87 INPPL1 (0.42) INPPL1INPP5AAKT1INPP5BCTRC
SCHEMBL1726003 0.85 INPPL1 (0.41) INPPL1INPP5AAKT1INPP5BCTRC
SCHEMBL29892389 0.81 TYR (0.42) INPPL1INPP5AAKT1HTR2AHTR2C
SCHEMBL11128600 0.81 TYR (0.42) INPPL1INPP5AAKT1HTR2AHTR2C
SCHEMBL290843 0.81 TYR (0.42) INPPL1INPP5AAKT1HTR2AHTR2C
SCHEMBL8958556 0.81 TYR (0.42) INPPL1INPP5AAKT1HTR2AHTR2C
SCHEMBL9329182 0.81 TYR (0.42) INPPL1INPP5AAKT1HTR2AHTR2C
SCHEMBL4427146 0.81 INPPL1 (0.45) INPPL1INPP5AAKT1INPP5BCTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104263-A1 BUTYRYLCHOLINESTERASE INHIBITORS JAL THERAPEUTICS, LLC 2018-04-19 US disclosed
EP-2097428-B1 BUTYRYLCHOLINESTERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES MGP BIOTECHNOLOGIES INC (US) 2018-02-28 EP disclosed
US-9757399-B2 Butyrylcholinesterase inhibitors JAL THERAPEUTICS, INC. (US) 2017-09-12 US disclosed
US-20160206635-A1 Butyrylcholinesterase Inhibitors JAL THERAPEUTICS, LLC 2016-07-21 US disclosed
US-20140073608-A1 Butyrylcholinesterase Inhibitors MGP BIOTECHNOLOGIES, LLC (US) 2014-03-13 US disclosed
US-20100069337-A1 BUTYRYLCHOLINESTERASE INHIBITORS JAL THERAPEUTICS, LLC 2010-03-18 US disclosed
EP-2097428-A2 BUTYRYLCHOLINESTERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Mgp Biotechnologies, Inc. (US) 2009-09-09 EP disclosed
WO-2008055249-A2 BUTYRYLCHOLINESTERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES MGP BIOTECHNOLOGIES, INC. (US) 2008-05-08 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 (4 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-20180104263-A1 BUTYRYLCHOLINESTERASE INHIBITORS BCHE, ACHE, PSEN1 INPPL1 120/4885INPP5A 211/4885AKT1 821/4885
US-20160206635-A1 Butyrylcholinesterase Inhibitors BCHE, ACHE, PSEN1 INPPL1 120/4885INPP5A 211/4885AKT1 821/4885
US-20140073608-A1 Butyrylcholinesterase Inhibitors BCHE, ACHE, PSEN1 INPPL1 120/4885INPP5A 211/4885AKT1 821/4885
US-20100069337-A1 BUTYRYLCHOLINESTERASE INHIBITORS BCHE, ACHE, PSEN1 INPPL1 120/4885INPP5A 211/4885AKT1 821/4885

“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.