SCHEMBL260287

SCHEMBL260287

CC(=O)c1ccc(OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
MAPK1 P28482 3/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1632528 0.83 ALDH1A1 (0.57) AKR1C3AKR1C2KMT2AMEN1KDM4E
SCHEMBL26343222 0.79 DTYMK (0.53) AKR1C3AKR1C2KMT2AMEN1KDM4E
SCHEMBL12897966 0.79 MAPT (0.57) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL22065493 0.77 AKR1C3 (0.39) AKR1C3AKR1C2KMT2AMEN1KDM4E
SCHEMBL8211036 0.76 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL26633308 0.76 ALDH1A1 (0.51) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL30768319 0.75 SOS1 (0.42) AKR1C3AKR1C2KMT2AMEN1ALDH1A1
SCHEMBL28843843 0.75 MAPT (0.50) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL260307 0.75 PDK1 (0.46) KMT2AMEN1ALDH1A1CYP3A4MAPK1
SCHEMBL2617463 0.74 ALDH1A1 (0.44) AKR1C3AKR1C2KMT2AMEN1KDM4E

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-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-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 AKR1C3 2335/4885AKR1C2 2075/4885KMT2A 1399/4885
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B AKR1C3 2038/4885AKR1C2 2030/4885KMT2A 1748/4885

“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.