SCHEMBL5023905

SCHEMBL5023905

CC(C)(C)OC(=O)Cn1ccc2ccc(O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KMT2A Q03164 2/20 0.38
NQO2 P16083 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3057043 0.85 MCL1 (0.41) MCL1KDM4EALDH1A1HDAC6HPGD
SCHEMBL25338022 0.85 HTR7 (0.44) MCL1KDM4EALDH1A1HDAC6HPGD
SCHEMBL3871316 0.82 MCL1 (0.47) MCL1KDM4EALDH1A1HPGDPOLB
SCHEMBL30229742 0.81 KMT2A (0.59) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL3597779 0.81 KMT2A (0.59) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL3062365 0.81 HTR7 (0.47) MCL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5015441 0.79 MCL1 (0.43) MCL1KDM4EALDH1A1HDAC6PPARG
SCHEMBL5016775 0.78 HDAC6 (0.39) KDM4EALDH1A1HDAC6KMT2AHTR6
SCHEMBL7644358 0.78 HDAC6 (0.54) KDM4EALDH1A1HDAC6KMT2ALMNA
SCHEMBL27657110 0.77 MTNR1A (0.39) MCL1KDM4EALDH1A1HDAC6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509802-C Heteroaryl deravatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
EP-1644368-B1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-7235572-B2 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
CN-1878768-A heteroaryl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
EP-1644368-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 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 (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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG MCL1 2737/4885KDM4E 2145/4885ALDH1A1 799/4885
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG MCL1 2082/4885KDM4E 1998/4885ALDH1A1 627/4885
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG MCL1 2700/4885KDM4E 1218/4885ALDH1A1 788/4885

“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.