SCHEMBL13601336

SCHEMBL13601336

Cc1ccc(C(=O)OCCC[N+](C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
ESR1 P03372 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PDE4D Q08499 1/20 0.49
TDP1 Q9NUW8 4/20 0.49
GAA P10253 2/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 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
SCHEMBL14582373 0.86 TDP1 (0.58) BCHEACHELMNACYP1A2CYP2C19
SCHEMBL6578044 0.86 TDP1 (0.64) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL13410610 0.86 TSHR (0.59) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL13601161 0.85 BCHE (0.51) BCHEACHETSHRLMNACYP1A2
SCHEMBL4454820 0.85 LMNA (0.69) BCHEACHETSHRLMNACYP1A2
SCHEMBL4464262 0.85 BCHE (0.51) BCHEACHETSHRLMNACYP1A2
SCHEMBL13601165 0.85 TDP1 (0.70) BCHEACHETSHRLMNACYP1A2
SCHEMBL14984030 0.84 TDP1 (0.62) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL6578053 0.84 TDP1 (0.62) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL14178233 0.84 BCHE (0.50) BCHEACHETSHRLMNACYP1A2

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-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-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-22 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 (2 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 BCHE 3512/4885ACHE 1854/4885TSHR 3654/4885
US-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis NOS1, NOS2, F12 BCHE 3009/4885ACHE 748/4885TSHR 3095/4885

“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.