SCHEMBL1886879

SCHEMBL1886879

CCCCn1cc[n+](-c2c(C)cc(C)cc2C)c1.F[B-](F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 2/20 0.43
▸ MEN1 O00255 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ FDPS P14324 2/20 0.33

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
SCHEMBL1884056 0.96 MEN1 (0.44) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1879949 0.94 NPC1 (0.47) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1886915 0.94 NPC1 (0.47) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1881336 0.94 NPC1 (0.47) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1883550 0.94 NPC1 (0.47) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1882516 0.94 NPC1 (0.47) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL23698451 0.94 PON1 (0.46) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
Bromide SCHEMBL1882253 0.93 PON1 (0.46) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1883408 0.91 PON1 (0.35) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL23698569 0.88 NPC1 (0.51) PON1MEN1HSP90AA1KMT2ASMN1; SMN2

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
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 — — EP disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 — — US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 — — US disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 — — EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 — — WO 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-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 PON1 2592/4885MEN1 2747/4885HSP90AA1 3676/4885

“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.

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