SCHEMBL1547082

SCHEMBL1547082

CCOc1cccc(C(C)(C)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.42
SOD1 P00441 1/20 0.40
NQO1 P15559 1/20 0.40
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL20819662 0.84 SOD1 (0.39) TP53CYP3A4L3MBTL1LMNASOD1
SCHEMBL5619009 0.83 CYP3A4 (0.55) TP53CYP3A4L3MBTL1MAPK1CYP1A2
SCHEMBL29979999 0.83 CYP3A4 (0.55) TP53CYP3A4L3MBTL1MAPK1CYP1A2
SCHEMBL18910981 0.81 NQO1 (0.43) TP53CYP3A4L3MBTL1MAPK1CYP1A2
SCHEMBL6205456 0.81 TP53 (0.49) TP53CYP3A4L3MBTL1MAPK1CYP1A2
SCHEMBL13191971 0.80 TP53 (0.52) TP53CYP3A4L3MBTL1MAPK1CYP1A2
SCHEMBL1546661 0.80 TP53 (0.52) TP53CYP3A4L3MBTL1MAPK1CYP1A2
Alcohol SCHEMBL28543970 0.79 L3MBTL1 (0.51) TP53CYP3A4L3MBTL1MAPK1CYP2C19
SCHEMBL44954 0.78 MAPK1 (0.44) L3MBTL1MAPK1ALDH1A1GAA
SCHEMBL11548041 0.78 TP53 (0.53) TP53CYP3A4L3MBTL1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
EP-2311814-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
EP-1960368-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 US disclosed
WO-2007063013-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO 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-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TP53 68/4885CYP3A4 12/4885L3MBTL1 2569/4885

“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.