SCHEMBL5016775

SCHEMBL5016775

Cc1cc(O)cc2c1ccn2CC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
FPR2 P25090 4/20 0.35
ELANE P08246 1/20 0.33
GRIN2B Q13224 1/20 0.33
CACNA1B Q00975 1/20 0.33
HTR6 P50406 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
RHEB Q15382 1/20 0.32

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
SCHEMBL5016771 0.81 MCHR1 (0.44) KDM4EALDH1A1KMT2A
SCHEMBL5023905 0.78 MCL1 (0.41) HDAC6KDM4EALDH1A1HTR6KMT2A
SCHEMBL27656185 0.78 NR3C1 (0.33) KDM4E
SCHEMBL5015442 0.76 HTR2C (0.49) HDAC6KDM4EALDH1A1ELANEHTR6
SCHEMBL7644358 0.73 HDAC6 (0.54) HDAC6KDM4EALDH1A1FPR2ELANE
SCHEMBL21603502 0.73 FPR2 (0.45) HDAC6KDM4EALDH1A1FPR2ELANE
SCHEMBL30254388 0.73 FPR2 (0.45) HDAC6KDM4EALDH1A1FPR2ELANE
SCHEMBL5023865 0.73 HTR6 (0.39) HDAC6KDM4EALDH1A1FPR2HTR6
SCHEMBL25337176 0.72 KDM4E (0.41) HDAC6KDM4EALDH1A1FPR2ELANE
SCHEMBL17023365 0.72 SMN1; SMN2 (0.40) ALDH1A1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG HDAC6 1018/4885KDM4E 2145/4885ALDH1A1 799/4885

“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.