SCHEMBL1546979

SCHEMBL1546979

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
LMNA P02545 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NR4A2 P43354 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL954464 0.86 HSD17B10 (0.66) TSHRHSD17B10CYP2C19KDM4EUSP2
SCHEMBL28949704 0.86 KDM4E (0.45) TDP1TSHRHSD17B10CYP2C19KDM4E
SCHEMBL1546640 0.86 CYP2C19 (0.46) TDP1TSHRHSD17B10CYP2C19KDM4E
SCHEMBL3156615 0.84 EGFR (0.55) TDP1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL1547094 0.84 TDP1 (0.59) TDP1TSHRCYP2C19KDM4EALDH1A1
SCHEMBL28949707 0.84 CYP2C19 (0.40) TSHRHSD17B10CYP2C19KDM4EALDH1A1
SCHEMBL28558879 0.82 MRGPRX4 (0.57) TDP1CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL106530 0.81 ALDH1A1 (0.59) TDP1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL1860562 0.80 TDP1 (0.51) TDP1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL4844621 0.80 KDM4E (0.70) TSHRHSD17B10KDM4EALDH1A1HPGD

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
WO-2024148257-A1 MDM2 TARGETING PROTACS THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2024-07-11 WO disclosed
US-20220251071-A1 METHOD TO MAKE SMALL-MOLECULE MURINE DOUBLE MINUTE 2 PROTEIN (MDM2)-DEGRADING COMPOUNDS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WISCONSIN ALUMNI RESEARCH FOUNDATION 2022-08-11 US disclosed
WO-2020232115-A1 BIFUNCTIONAL NUTLIN-LENALIDOMIDE DERIVATIVES ((4,5-DIHYDRO-1H-IMIDAZOLE-1-CARBONYL)PIPERAZIN-1-YL-[LINKER]-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES) AS MDM2 DEGRADERS AND MDM2-P53 INHIBITORS FOR USE IN CANCER THERAPY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-11-19 WO disclosed
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 (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-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TDP1 1653/4885TSHR 761/4885HSD17B10 3554/4885
US-20220251071-A1 METHOD TO MAKE SMALL-MOLECULE MURINE DOUBLE MINUTE 2 PROTEIN (MDM2)-DEGRADING COMPOUNDS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MDM2, TP53, MYCBP2 TDP1 2840/4885TSHR 4583/4885HSD17B10 2535/4885

“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.