SCHEMBL13601165

SCHEMBL13601165

C[N+](C)(C)CCCOC(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
LMNA P02545 2/20 0.61
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1H2 P55055 1/20 0.47

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
SCHEMBL14582344 0.91 TDP1 (0.57) TDP1LMNABCHEACHECHRM2
SCHEMBL14582387 0.90 TDP1 (0.70) TDP1LMNATSHRMAPK1HIF1A
SCHEMBL2221655 0.89 LMNA (0.65) TDP1LMNABCHEACHECHRM2
SCHEMBL14582308 0.88 TDP1 (0.54) TDP1LMNABCHEACHECHRM2
Iodide SCHEMBL2353854 0.88 LMNA (0.62) TDP1LMNABCHEACHECHRM2
Water SCHEMBL16320769 0.88 LMNA (0.62) TDP1LMNABCHEACHECHRM2
Bromide SCHEMBL2356769 0.88 LMNA (0.62) TDP1LMNABCHEACHECHRM2
Hydrochloric Acid SCHEMBL2356481 0.88 LMNA (0.62) TDP1LMNABCHEACHECHRM2
SCHEMBL13601336 0.85 BCHE (0.52) TDP1LMNABCHEACHECHRM1
Urea SCHEMBL27927742 0.85 LMNA (0.59) TDP1LMNABCHEACHECHRM2

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-9452425-B2 Compositions containing ionic liquids and their uses, in particular in organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-09-27 US disclosed
US-20090326228-A1 COMPOSITIONS CONTAINING IONIC LIQUIDS AND THEIR USES, IN PARTICULAR IN ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-31 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-20090326228-A1 COMPOSITIONS CONTAINING IONIC LIQUIDS AND THEIR USES, IN PARTICULAR IN ORGANIC SYNTHESIS F12, ANXA1, F11 TDP1 1622/4885LMNA 110/4885BCHE 3512/4885

“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.