SCHEMBL10058652

SCHEMBL10058652

CC(C[n+]1ccccc1)(C[n+]1ccccc1)C[n+]1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
BCHE P06276 7/20 0.39
ACHE P22303 7/20 0.39

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
SCHEMBL10058629 0.82 KMT2A (0.43) KMT2ABCHEACHE
Bromide SCHEMBL31026191 0.78 KMT2A (0.45) KMT2ABCHEACHE
SCHEMBL14369259 0.75 BCHE (0.43) KMT2ABCHEACHE
SCHEMBL13209110 0.74 KMT2A (0.38) KMT2ABCHEACHE
SCHEMBL13274140 0.74 KMT2A (0.38) KMT2ABCHEACHE
SCHEMBL12110481 0.74 LMNA (0.40) KMT2ABCHEACHE
SCHEMBL13865844 0.71 BCHE (0.39) KMT2ABCHEACHE
SCHEMBL1578189 0.70 BCHE (0.50) BCHEACHE
Hydrochloric Acid SCHEMBL20856336 0.69 KMT2A (0.34) KMT2ABCHEACHE
Hydrochloric Acid SCHEMBL21293887 0.67 BCHE (0.47) KMT2ABCHEACHE

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-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 US disclosed
US-8097721-B2 polycationic or polyanionic molecules; use as stationary phases in gas chromatography, and as a reagent in electrospray ionization-mass spectrometry (ESI-MS); thermal stability; tris(anion) such as tris(sulfonate) or tris(cation) groups such as imidazolium, pyrrolidinium, ammonium SIGMA-ALDRICH CO. LLC (US) 2012-01-17 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 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-20080210858-A1 High Stability Polyionic Liquid Salts PUF60, POLI, PARG KMT2A 3197/4885BCHE 4344/4885ACHE 4869/4885
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS PUF60, POLI, PARG KMT2A 3197/4885BCHE 4344/4885ACHE 4869/4885

“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.