SCHEMBL13380702

SCHEMBL13380702

C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
SLC22A16 Q86VW1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.37
GALR3 O60755 1/20 0.37
BLM P54132 1/20 0.37
LMNA P02545 4/20 0.36
PSMD14 O00487 2/20 0.34
PLA2G1B P04054 2/20 0.34
MMP2 P08253 2/20 0.34
ATG4B Q9Y4P1 2/20 0.34
HSP90AA1 P07900 1/20 0.34
TSHR P16473 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
TBXA2R P21731 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32

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
Prolonium SCHEMBL2889745 0.93 MAPT (0.57) MAPTSLC22A16SMN1; SMN2GALR3BLM
Prolonium SCHEMBL1649967 0.89 MAPT (0.52) MAPTSLC22A16SMN1; SMN2GALR3BLM
SCHEMBL16405718 0.89 MAPT (0.44) MAPTSLC22A16SMN1; SMN2GALR3BLM
SCHEMBL15761654 0.88 MAPT (0.42) MAPTSLC22A16SMN1; SMN2GALR3BLM
Prolonium SCHEMBL5705670 0.86 MAPT (0.50) MAPTSLC22A16SMN1; SMN2GALR3BLM
Prolonium SCHEMBL1650849 0.86 MAPT (0.50) MAPTSLC22A16SMN1; SMN2GALR3BLM
Prolonium SCHEMBL11723705 0.86 MAPT (0.50) MAPTSLC22A16SMN1; SMN2GALR3BLM
Hydrochloric Acid SCHEMBL15557842 0.84 PSMD14 (0.53) MAPTSLC22A16SMN1; SMN2GALR3BLM
SCHEMBL17430801 0.81 MAPT (0.37) MAPTSLC22A16PSMD14PLA2G1BMMP2
SCHEMBL15761655 0.81 PSMD14 (0.55) MAPTSLC22A16LMNAPSMD14PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814576-B1 POLYCATIONIC POLYHYDROXYL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-11-15 EP disclosed
US-20150065579-A1 POLYCATIONIC POLYHYDROXYL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-03-05 US disclosed
WO-2013148613-A1 POLYCATIONIC POLYHYDROXYL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-03 WO disclosed
US-20100081844-A1 POLYCATIONIC ORGANIC COMPOUNDS PNC BANK, NATIONAL ASSOCIATION 2010-04-01 US disclosed
US-7632409-B2 Cation-exchange displacement chromatography process and cationic organic compounds for use as displacer compounds in cation-exchange displacement chromatography process SACHEM, INC. (US) 2009-12-15 US disclosed
WO-2007053235-A1 CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND CATIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS SACHEM, INC. (US) 2007-05-10 WO disclosed
US-20070102363-A1 CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND CATIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS SACHEM, INC. 2007-05-10 US 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-20150065579-A1 POLYCATIONIC POLYHYDROXYL COMPOUNDS PARG, PAH, CUTA MAPT 2084/4885SLC22A16 4153/4885SMN1; SMN2 4480/4885
US-20100081844-A1 POLYCATIONIC ORGANIC COMPOUNDS OR10J3, ORC3, CCNY MAPT 4323/4885SLC22A16 1206/4885SMN1; SMN2 4774/4885

“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.