SCHEMBL13601157

SCHEMBL13601157

C[N+](C)(C)CCCOC(=O)c1cccc(I)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ESR1 P03372 2/20 0.45
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL46838 0.84 ESR1 (0.62) TDP1ESR1
SCHEMBL11230684 0.82 ESR1 (0.60) TDP1ESR1
SCHEMBL4464262 0.82 BCHE (0.51) TDP1ESR1CHRM1
SCHEMBL13601165 0.82 TDP1 (0.70) TDP1ESR1CHRM2CHRM4CHRM1
SCHEMBL24991650 0.81 TDP1 (0.50) TDP1ESR1
SCHEMBL26586770 0.81 TDP1 (0.50) TDP1ESR1
SCHEMBL16349527 0.80 LMNA (0.64) TDP1ESR1CHRM1
SCHEMBL14582377 0.78 TDP1 (0.50) TDP1ESR1
SCHEMBL131839 0.77 CYP4F2 (0.56) ESR1
SCHEMBL19563523 0.77 PHLPP2 (0.55) TDP1

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-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-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
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 1622/4885ESR1 1875/4885CHRM2 331/4885

“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.