SCHEMBL16558586

SCHEMBL16558586

C=C(C)C(=O)OCCOP(=O)(O)OCC[N+](C)(C)[13CH3]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
CHRM5 P08912 6/20 0.44
CHRM1 P11229 6/20 0.44
CHRM3 P20309 6/20 0.44
CHRM2 P08172 5/20 0.42
CHRM4 P08173 5/20 0.42
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
CHRNA7 P36544 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 2/20 0.42
PGR P06401 1/20 0.42
TBXA2R P21731 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
FABP3 P05413 1/20 0.41
GALR3 O60755 2/20 0.41
MAPT P10636 1/20 0.41

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 SCHEMBL16667567 1.00 THRB (0.45) THRBCHRM5CHRM1CHRM3CHRM2
SCHEMBL180655 1.00 THRB (0.45) THRBCHRM5CHRM1CHRM3CHRM2
SCHEMBL28329138 0.92 TSHR (0.51) THRBCHRM5CHRM1CHRM3FABP3
SCHEMBL2946708 0.91 TSHR (0.49) THRBCHRM5CHRM1CHRM3CHRM2
SCHEMBL28831183 0.91 TSHR (0.38) THRBCHRM5CHRM1CHRM3CHRM2
SCHEMBL2946928 0.90 TSHR (0.51) THRBCHRM5CHRM1CHRM3CHRM2
SCHEMBL28595957 0.89 TSHR (0.60) THRBFABP3MAPTTSHRADRA1A
SCHEMBL13333174 0.89 CHRM5 (0.41) THRBCHRM5CHRM1CHRM3CHRM2
SCHEMBL31091982 0.88 THRB (0.55) THRBTSHRAPEX1ALDH1A1BTN3A1
SCHEMBL15194 0.88 THRB (0.55) THRBTSHRAPEX1ALDH1A1BTN3A1

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-20150071861-A1 POLYMER, CONTRAST AGENT FOR NUCLEAR MAGNETIC RESONANCE ANALYSIS OR MAGNETIC RESONANCE IMAGING USING THE POLYMER, COMPOUND AND METHOD OF NUCLEAR MAGNETIC RESONANCE ANALYSIS AND METHOD OF MAGNETIC RESONANCE IMAGING USING THE POLYMER CANON KABUSHIKI KAISHA (JP) 2015-03-12 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-20150071861-A1 POLYMER, CONTRAST AGENT FOR NUCLEAR MAGNETIC RESONANCE ANALYSIS OR MAGNETIC RESONANCE IMAGING USING THE POLYMER, COMPOUND AND METHOD OF NUCLEAR MAGNETIC RESONANCE ANALYSIS AND METHOD OF MAGNETIC RESONANCE IMAGING USING THE POLYMER PHOSPHO1, NPPA, NMRAL1 THRB 3540/4885CHRM5 2371/4885CHRM1 1555/4885

“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.