SCHEMBL5025660

SCHEMBL5025660

CCOC(=O)Cn1ccc2ccc(OCc3cc(-c4ccc(Cl)c(Cl)c4)nn3C)cc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.46
BCL2 P10415 3/20 0.39
FFAR1 O14842 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
EIF4E P06730 1/20 0.36
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5023828 0.89 MCL1 (0.46) MCL1BCL2FFAR1
SCHEMBL5016769 0.85 PPARD (0.44) MCL1MAOB
SCHEMBL5027024 0.85 TRPV1 (0.43) MCL1FFAR1MAPTKMT2AMTNR1A
SCHEMBL5023355 0.84 GRIN2B (0.44) MCL1FFAR1MTNR1AMTNR1B
SCHEMBL5022786 0.81 MCL1 (0.43) MCL1BCL2MAPTPOLB
SCHEMBL5016786 0.80 MCL1 (0.51) MCL1BCL2MAPTPOLB
SCHEMBL5016855 0.79 PPARD (0.45) POLB
SCHEMBL5023329 0.78 MCL1 (0.44) MCL1MAPTKMT2A
SCHEMBL5022805 0.78 MCL1 (0.44) MCL1MAPTKMT2A
SCHEMBL5016774 0.78 MCL1 (0.45) MCL1MAPTKMT2A

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 MCL1 2737/4885BCL2 2207/4885FFAR1 28/4885

“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.