SCHEMBL1546640

SCHEMBL1546640

CCOc1cc(C(C)(C)C)ccc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 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
SCHEMBL1546638 0.88 CYP2C19 (0.49) CYP2C19KDM4ECYP3A4TSHRRXFP1
SCHEMBL1546979 0.86 TDP1 (0.49) CYP2C19KDM4ECYP3A4TSHRRXFP1
SCHEMBL28949704 0.84 KDM4E (0.45) CYP2C19KDM4ECYP3A4TSHRRXFP1
SCHEMBL1547094 0.83 TDP1 (0.59) CYP2C19KDM4ECYP3A4TSHRRXFP1
SCHEMBL107111 0.82 NR1H4 (0.51) CYP2C19KDM4ENR1H4SMN1; SMN2ALDH1A1
SCHEMBL27923255 0.80 KDM4E (0.68) KDM4ECYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL28949707 0.79 CYP2C19 (0.40) CYP2C19KDM4ECYP3A4TSHRRXFP1
SCHEMBL3993311 0.79 KDM4E (0.49) CYP2C19KDM4ECYP3A4TSHRSMN1; SMN2
SCHEMBL8379806 0.78 TDP1 (0.41) CYP2C19KDM4ENR1H4SMN1; SMN2ALDH1A1
SCHEMBL7345060 0.78 KDM4E (0.51) KDM4ECYP3A4TSHRRXFP1SMN1; SMN2

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 CYP2C19 212/4885KDM4E 387/4885CYP3A4 12/4885

“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.