SCHEMBL17430801

SCHEMBL17430801

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
PSMD14 O00487 2/20 0.36
PLA2G1B P04054 2/20 0.36
MMP2 P08253 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TSHR P16473 2/20 0.35
RAD52 P43351 1/20 0.32
SLC22A16 Q86VW1 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
SCHEMBL16405718 0.95 MAPT (0.44) MAPTPSMD14PLA2G1BMMP2ATG4B
SCHEMBL12931451 0.92 PSMD14 (0.33) MAPTPSMD14PLA2G1BMMP2ATG4B
SCHEMBL15099704 0.87 LMNA (0.38) MAPTPSMD14PLA2G1BMMP2ATG4B
SCHEMBL12192711 0.86 PSMD14 (0.35) MAPTPSMD14PLA2G1BMMP2ATG4B
Water SCHEMBL28099902 0.83 PSMD14 (0.34) MAPTPSMD14PLA2G1BMMP2ATG4B
SCHEMBL10274560 0.81
SCHEMBL890513 0.81
SCHEMBL13380702 0.81 MAPT (0.52) MAPTPSMD14PLA2G1BMMP2ATG4B
SCHEMBL12967918 0.81 PSMD14 (0.33) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Water SCHEMBL1358117 0.79 MAPT (0.44) MAPTTSHRSLC22A16

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328200-B2 Branched polymeric quaternary ammonium compounds and their uses ULTRASCI DISCOVERY LLP (US) 2016-05-03 US disclosed
US-9328200-B2 Branched polymeric quaternary ammonium compounds and their uses ULTRASCI DISCOVERY LLP (US) 2016-05-03 US disclosed
US-20160009861-A1 Branched Polymeric Quaternary Ammonium Compounds and Their Uses CHEN HWANG-HSING (US) 2016-01-14 US disclosed
US-20160009861-A1 Branched Polymeric Quaternary Ammonium Compounds and Their Uses CHEN HWANG-HSING (US) 2016-01-14 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 (1 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-20160009861-A1 Branched Polymeric Quaternary Ammonium Compounds and Their Uses BCAT2, UACA, BCAT1 MAPT 1143/4885PSMD14 1032/4885PLA2G1B 4265/4885

“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.