SCHEMBL12639166

SCHEMBL12639166

CCCC[n+]1ccn(-c2ccc(CC)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
PABPC1 P11940 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
Iodide SCHEMBL1889719 0.98 PABPC1 (0.42) ALDH1A1KDM4EPABPC1HPGDMAPT
Bromide SCHEMBL1889463 0.98 PABPC1 (0.40) ALDH1A1KDM4EPABPC1HPGD
SCHEMBL15993624 0.94 MEN1 (0.46) KDM4EMAPTHTTSMN1; SMN2
SCHEMBL12639175 0.94 MEN1 (0.46) KDM4EMAPTHTTSMN1; SMN2
SCHEMBL15993308 0.94 MEN1 (0.46) KDM4EMAPTHTTSMN1; SMN2
Iodide SCHEMBL1883901 0.92 HTT (0.47) KDM4EMAPTHTTSMN1; SMN2
Bromide SCHEMBL15992884 0.92
Bromide SCHEMBL1877140 0.92
SCHEMBL12639157 0.86 KDM4E (0.49) ALDH1A1KDM4EPABPC1HPGDMAPT
SCHEMBL12639143 0.86 KDM4E (0.49) ALDH1A1KDM4EPABPC1HPGDMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663386-B2 Extraction of noble metal (ions) by means of ionic liquids TECHNISCHE UNIVERSITAT DRESDEN (DE) 2017-05-30 US disclosed
EP-2739572-B1 EXTRACTION OF METAL (IONS) BY MEANS OF IONIC LIQUIDS UNIV DRESDEN TECH (DE) 2017-03-01 EP disclosed
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-20140246370-A1 EXTRACTION OF NOBLE METAL (IONS) BY MEANS OF IONIC LIQUIDS HELMHOLTZ-ZENTRUM DRESDEN - ROSSENDORF E.V. (DE) 2014-09-04 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

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 ALDH1A1 2684/4885KDM4E 4534/4885PABPC1 4883/4885

“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.