SCHEMBL3152156

SCHEMBL3152156

C[N+](C)(C)CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
MAPK1 P28482 2/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
PLA2G4B P0C869 4/20 0.60
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RARB P10826 4/20 0.57
HTT P42858 1/20 0.57
ESR1 P03372 2/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PLA2G4A P47712 1/20 0.54

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
SCHEMBL196110 0.84 PKM (0.88) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL3152149 0.84 CA1 (0.52) PKMMAPK1TSHRTP53ESR1
SCHEMBL16418454 0.82 ESR1 (0.66) ESR1L3MBTL1
SCHEMBL3138707 0.82 MAPT (0.77) ESR1L3MBTL1
SCHEMBL118037 0.82 PKM (0.77) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL1952122 0.82 TP53 (0.79) PKMMAPK1TSHRTP53PLA2G4B
Bromide SCHEMBL16414995 0.81 ESR1 (0.64) ESR1L3MBTL1
SCHEMBL736876 0.81 TP53 (0.89) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL175191 0.81 TP53 (0.77) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL10798086 0.81 TP53 (0.89) PKMMAPK1TSHRTP53PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687546-B2 Quaternary ammonium compound, process for producing the same, therapeutic agent for cerebrovascular disorder, and therapeutic agent for heart disease ACTIVUS PHARMA CO., LTD. (JP) 2010-03-30 US disclosed
US-20080269345-A1 Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-10-30 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-20080269345-A1 Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease HRH4, KCNH3, ARGLU1 PKM 2437/4885MAPK1 2873/4885TSHR 698/4885

“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.