SCHEMBL15099704

SCHEMBL15099704

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
PSMD14 O00487 2/20 0.37
PLA2G1B P04054 2/20 0.37
MMP2 P08253 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
HSP90AA1 P07900 1/20 0.37
RAD52 P43351 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL1405424 0.89 LMNA (0.47) LMNAALDH1A1PSMD14PLA2G1BMMP2
SCHEMBL14958465 0.89 LMNA (0.47) LMNAALDH1A1PSMD14PLA2G1BMMP2
SCHEMBL17430801 0.87 MAPT (0.37) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Water SCHEMBL11721226 0.87 LMNA (0.44) LMNAALDH1A1PSMD14PLA2G1BMMP2
Hydrochloric Acid SCHEMBL27898310 0.85 LMNA (0.38) LMNAALDH1A1PSMD14PLA2G1BMMP2
SCHEMBL16405718 0.82 MAPT (0.44) LMNAPSMD14PLA2G1BMMP2ATG4B
SCHEMBL3456928 0.82 LMNA (0.40) LMNAALDH1A1PSMD14PLA2G1BMMP2
Hydrochloric Acid SCHEMBL27714839 0.81 PSMD14 (0.47) LMNAALDH1A1PSMD14PLA2G1BMMP2
SCHEMBL12931451 0.80 PSMD14 (0.33) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL12192711 0.79 PSMD14 (0.35) PSMD14PLA2G1BMMP2ATG4BHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178542-A1 MONOCATIONIC POLYHYDROXYL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-07-11 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-20130178542-A1 MONOCATIONIC POLYHYDROXYL COMPOUNDS CUTA, PAH, PARG LMNA 1792/4885ALDH1A1 1105/4885PSMD14 259/4885

“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.