SCHEMBL1546520

SCHEMBL1546520

COC(=O)c1ccc(OC)cc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.47
NR4A2 P43354 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
ULK1 O75385 1/20 0.46

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
SCHEMBL1282266 0.89 KMT2A (0.48) TP53KDM4ECYP1A2CYP2C19KMT2A
SCHEMBL5431477 0.89 ALDH1A1 (0.53) TP53KDM4EGLAGAAHSD17B10
SCHEMBL1501250 0.88 KDM4E (0.54) TP53KDM4ECYP1A2CYP2C19KMT2A
SCHEMBL20215988 0.87 ALDH1A1 (0.59) TP53CYP1A2CYP2C19KMT2ANPC1
SCHEMBL1282546 0.85 ALDH1A1 (0.62) TP53KDM4EKMT2ANPC1ALDH1A1
SCHEMBL4304160 0.85 TP53 (0.50) TP53KDM4ECYP1A2CYP2C19CYP2D6
SCHEMBL27006312 0.85 TP53 (0.50) TP53KDM4ECYP1A2CYP2C19CYP2D6
Methyl 2,4-Dimethoxybenzoate SCHEMBL645462 0.84 KMT2A (0.64) TP53KDM4ECYP1A2CYP2C19CYP2D6
SCHEMBL20215153 0.84 TP53 (0.48) TP53KMT2ANPC1ALDH1A1HPGD
SCHEMBL20204164 0.84 TP53 (0.48) TP53CYP1A2CYP2C19KMT2ANPC1

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 10 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
CN-101316823-B 2,4, 5-triphenylimidazoline derivatives as inhibitors of the interaction between p53 and MDM2 proteins for use as anticancer agents HOFFMANN LA ROCHE 2013-05-22 CN 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
CN-101316823-A 2,4, 5-triphenylimidazoline derivatives as inhibitors of the interaction between p53 and MDM2 proteins for use as anticancer agents HOFFMANN LA ROCHE (CH) 2008-12-03 CN 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
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 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-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 68/4885KDM4E 387/4885CYP1A2 484/4885

“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.