SCHEMBL260331

SCHEMBL260331

CC(C)(C)Oc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERN1 O75460 4/20 0.38
HPGD P15428 1/20 0.38
ALDH3A1 P30838 1/20 0.36
MEN1 O00255 1/20 0.36
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
FBP1 P09467 2/20 0.35

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
SCHEMBL26421273 0.88 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1572278 0.82 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL9109238 0.78 MAPT (0.59) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL26633308 0.78 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMAPK1HTT
SCHEMBL8211036 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP3A4MAPK1
SCHEMBL13779864 0.77 MAPT (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL260307 0.76 PDK1 (0.46) ALDH1A1MAPTCYP3A4HSD17B10MAPK1
SCHEMBL14294184 0.76 MAPT (0.54) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7829922 0.76 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL12071658 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 US disclosed
US-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 US disclosed
US-7880037-B2 Phosphonium supported triphenylphosphine; for controlling solubility of a molecule; oxidation of Cinnamyl Alcohol using above catalyst system VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-02-01 US disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 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-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES PI4K2A, PIP4K2A, PI4K2B ALDH1A1 3806/4885MAPT 2987/4885KDM4E 3198/4885
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B ALDH1A1 3468/4885MAPT 3631/4885KDM4E 3602/4885

“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.