SCHEMBL12844852

SCHEMBL12844852

C[N+](C)(C)CCOc1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 3/20 0.57
ADRA2B P18089 1/20 0.47
PTGS1 P23219 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
APP P05067 1/20 0.43
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42

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
Bromide SCHEMBL2073135 0.89 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
SCHEMBL3965944 0.86 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
SCHEMBL864648 0.81 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
SCHEMBL29708563 0.81 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
Potassium SCHEMBL30586884 0.79 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
SCHEMBL10387995 0.79 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
SCHEMBL10386552 0.79 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
SCHEMBL14497407 0.78 GAA (0.64) CYP1A2CYP2C9CYP2C19ALDH1A1CHRNB2
SCHEMBL15016505 0.78 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL110932 0.78 CYP1A2 (0.81) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B

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-1851215-B1 WATER-SOLUBLE TETRAZOLIUM SALTS BAYER HEALTHCARE LLC (US) 2013-12-18 EP disclosed
US-7897331-B2 Process of using a tetrazolium salt BAYER HEALTHCARE LLC (US) 2011-03-01 US disclosed
US-20100255506-A1 PROCESS OF USING A TETRAZOLIUM SALT BAYER HEALTHCARE LLC (US) 2010-10-07 US disclosed
US-7767822-B2 Water-soluble tetrazolium salts BAYER HEALTHCARE LLC (US) 2010-08-03 US disclosed
US-20080125471-A1 Water-Soluble Tetrazolium Salts ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2008-05-29 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-20080125471-A1 Water-Soluble Tetrazolium Salts TST, AASDHPPT, APRT CYP1A2 889/4885CYP2C9 1546/4885CYP2C19 1645/4885

“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.