SCHEMBL13601360

SCHEMBL13601360

C[N+](C)(C)CCCOC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.75
HSPA1A P0DMV8 4/20 0.61
PTPN7 P35236 4/20 0.61
GAPDH P04406 3/20 0.61
MAPT P10636 7/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
POLB P06746 3/20 0.55
RECQL P46063 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NR4A1 P22736 2/20 0.55
HPGD P15428 2/20 0.55
MASP2 O00187 1/20 0.55
THRB P10828 1/20 0.55
HSPA8 P11142 1/20 0.55
ALOX15 P16050 1/20 0.55
DUSP1 P28562 1/20 0.55
BRCA1 P38398 1/20 0.55

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
SCHEMBL13608010 0.88 AR (0.76) ARHSPA1APTPN7GAPDHMAPT
SCHEMBL13601355 0.83 AR (0.79) ARHSPA1APTPN7GAPDHMAPT
SCHEMBL14582287 0.80 KMT2A (0.80) ARMAPTMEN1KMT2AKDM4E
SCHEMBL23949811 0.79 MAPT (0.81) ARHSPA1APTPN7MAPTMEN1
SCHEMBL681674 0.79 MAPT (0.81) ARHSPA1APTPN7MAPTMEN1
SCHEMBL686171 0.74 AR (0.84) ARHSPA1APTPN7MAPTMEN1
SCHEMBL10101416 0.73 AR (0.67) ARMAPTMEN1KMT2AKDM4E
SCHEMBL23950052 0.72 MAPT (0.76) ARHSPA1APTPN7MAPTMEN1
SCHEMBL23949812 0.72 MAPT (0.76) ARHSPA1APTPN7MAPTMEN1
SCHEMBL15300175 0.72 MAPT (0.78) ARHSPA1APTPN7MAPTMEN1

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 AR 3458/4885HSPA1A 1528/4885PTPN7 1449/4885
US-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis NOS1, NOS2, F12 AR 1848/4885HSPA1A 788/4885PTPN7 791/4885

“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.