SCHEMBL4464262

SCHEMBL4464262

C[N+](C)(C)CCCOC(=O)c1ccc(I)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
TSHR P16473 3/20 0.49
ESR1 P03372 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL14582377 0.95 TDP1 (0.50) BCHEACHETSHRESR1LMNA
SCHEMBL14582378 0.90 ACHE (0.61) BCHEACHETSHRESR1LMNA
SCHEMBL13601336 0.85 BCHE (0.52) BCHEACHETSHRESR1LMNA
SCHEMBL14218308 0.85 ESR1 (0.44) BCHEACHETSHRESR1LMNA
SCHEMBL13601161 0.84 BCHE (0.51) BCHEACHETSHRESR1LMNA
SCHEMBL4454820 0.84 LMNA (0.69) BCHEACHETSHRESR1LMNA
SCHEMBL13601165 0.83 TDP1 (0.70) BCHEACHETSHRESR1LMNA
SCHEMBL14178233 0.83 BCHE (0.50) BCHEACHETSHRESR1LMNA
SCHEMBL13601157 0.82 TDP1 (0.46) ESR1TDP1CHRM1
SCHEMBL5028692 0.81 ESR1 (0.72) TSHRESR1LMNACYP1A2CYP2C19

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 5 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
EP-1542942-B1 COMPOSITIONS CONTAINING IONIC LIQUIDS AND USES THEREOF, ESPECIALLY IN ORGANIC SYNTHESIS CENTRE NAT RECH SCIENT (FR) 2006-12-27 EP disclosed
US-20060128996-A1 Compositions containing Ionic liquids and uses thereof, especially in organic synthesis UNIVERSITE DE RENNES 1 (FR) 2006-06-15 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 (3 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-20060128996-A1 Compositions containing Ionic liquids and uses thereof, especially in organic synthesis F12, ANXA1, OLA1 BCHE 3931/4885ACHE 2247/4885TSHR 4088/4885
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.