SCHEMBL1886280

SCHEMBL1886280

CCn1cc[n+](-c2c(C)cc(C)cc2C)c1.F[B-](F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23698419 0.93 PON1 (0.33) PON1
Bromide SCHEMBL1883118 0.92 PON1 (0.32) PON1
SCHEMBL1883408 0.88 PON1 (0.35) PON1HTTSMN1; SMN2
SCHEMBL1886879 0.85 PON1 (0.43) PON1HTTSMN1; SMN2
SCHEMBL1884056 0.84 MEN1 (0.44) PON1LMNAHTTSMN1; SMN2
SCHEMBL1883550 0.83 NPC1 (0.47) PON1LMNAHTTSMN1; SMN2
SCHEMBL1881336 0.83 NPC1 (0.47) PON1LMNAHTTSMN1; SMN2
SCHEMBL1879949 0.83 NPC1 (0.47) PON1LMNAHTTSMN1; SMN2
SCHEMBL1882516 0.83 NPC1 (0.47) PON1LMNAHTTSMN1; SMN2
SCHEMBL1886915 0.83 NPC1 (0.47) PON1LMNAHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2592/4885LMNA 3104/4885HPGD 2261/4885

“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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