SCHEMBL6829133

SCHEMBL6829133

CC[N+](C)(C(C)C)C(C)C.COC(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 7/20 0.35
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC22A16 Q86VW1 1/20 0.30
CA2 P00918 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
SCHEMBL10410042 0.79 BBOX1 (0.38) BBOX1MEN1CYP2C19RECQLKMT2A
SCHEMBL15157011 0.79 BBOX1 (0.39) BBOX1SLC22A16CA2
SCHEMBL10641701 0.77 BBOX1 (0.46) BBOX1
SCHEMBL2229655 0.77 BBOX1 (0.46) BBOX1MEN1KMT2A
SCHEMBL10643640 0.77 BBOX1 (0.35) BBOX1SLC22A16
SCHEMBL643573 0.75 TSHR (0.31)
SCHEMBL20972162 0.74 POLB (0.33) BBOX1
Tetrylammonium SCHEMBL7572283 0.74 TSHR (0.44) BBOX1
Tetramethylammonium Ion SCHEMBL715918 0.72 ALDH1A1 (0.41) BBOX1SLC22A16
SCHEMBL17438922 0.72 ALDH1A1 (0.41) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040222401-A1 Electrochemically stable onium salts and electrolytes containing such for electrochemical capacitors XU KANG (US) 2004-11-11 US disclosed
US-6743947-B1 HAVING ASYMMETRIC SUBSTITUTION ON CATION; ALTERING MELTING POINT AND SOLUBILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-06-01 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-20040222401-A1 Electrochemically stable onium salts and electrolytes containing such for electrochemical capacitors VDAC2, VDAC1, HCN2 BBOX1 1644/4885MEN1 2459/4885CYP2C19 3063/4885

“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.