SCHEMBL13601226

SCHEMBL13601226

CC(C)(C)OC(=O)/C=C/Cc1cccc(C(=O)OCCC[N+](C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.42
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA2 P00918 1/20 0.34

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
SCHEMBL18098005 0.83 NR1H4 (0.43)
SCHEMBL13601227 0.81 LOXL2 (0.52) SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL21829127 0.73 TDP1 (0.54) ALDH1A1TDP1
SCHEMBL21829128 0.73 TDP1 (0.54) ALDH1A1TDP1
SCHEMBL22503321 0.71 SLC7A5 (0.45) SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL6820222 0.71 MAOB (0.45) CA2
SCHEMBL6820227 0.71 MAOB (0.45) CA2
SCHEMBL13601157 0.71 TDP1 (0.46) TDP1
SCHEMBL18098153 0.70 APP (0.50) ALDH1A1
SCHEMBL13814401 0.70 CYP4F2 (0.50) SLC7A5CYP4F2CYP4A11CA2

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 3 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

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 SLC7A5 284/4885CYP4F2 821/4885CYP4A11 2262/4885

“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.