SCHEMBL958734

SCHEMBL958734

CCOC(=O)c1ccc(C(F)(F)F)cc1OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.46
CA12 O43570 1/20 0.45

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
SCHEMBL983425 0.88 CYP1A2 (0.57) CYP2C19CYP1A2CYP2C9MRGPRX4KDM4E
SCHEMBL954464 0.85 HSD17B10 (0.66) CYP2C19CYP1A2CYP2C9MRGPRX4KDM4E
SCHEMBL4691963 0.84 CA12 (0.50) CYP1A2MRGPRX4KDM4EMAPTL3MBTL1
SCHEMBL2008596 0.83 RAB9A (0.44) CYP2C19CYP1A2CYP2C9MRGPRX4KDM4E
SCHEMBL953712 0.83 CYP1A2 (0.52) CYP2C19CYP1A2CYP2C9MRGPRX4KDM4E
SCHEMBL953081 0.83 PTGDR2 (0.55) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL16647662 0.82 MRGPRX4 (0.51) MRGPRX4KDM4EMAPTL3MBTL1NPC1
SCHEMBL5943406 0.82 CA12 (0.64) MRGPRX4KDM4EALDH1A1USP2MAPT
SCHEMBL1998616 0.82 CES2 (0.60) MRGPRX4KDM4EMAPTL3MBTL1NPC1
SCHEMBL28195998 0.82 MRGPRX4 (0.48) MRGPRX4KDM4EMAPTL3MBTL1NPC1

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 14 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-2238105-B1 NOVEL COMPOUNDS AS VANILLOID RECEPTOR ANTAGONISTS AMOREPACIFIC CORP (KR) 2014-04-16 EP disclosed
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2014-01-09 US disclosed
US-8557872-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2013-10-15 US 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-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-01-20 US disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-2238105-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2010-10-13 EP 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
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
WO-2009096701-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-08-06 WO 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 (3 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-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 CYP2C19 555/4885CYP1A2 1538/4885CYP2C9 703/4885
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 CYP2C19 555/4885CYP1A2 1538/4885CYP2C9 703/4885
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 CYP2C19 212/4885CYP1A2 484/4885CYP2C9 240/4885

“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.