SCHEMBL4055034

SCHEMBL4055034

O=C(O)Cn1ccc2ccc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 1.00
PPARA Q07869 13/20 1.00
PPARD Q03181 10/20 1.00
MCL1 Q07820 5/20 0.53
KMT2A Q03164 1/20 0.48

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
SCHEMBL4063141 0.93 PPARA (1.00) PPARGPPARAPPARD
SCHEMBL14036317 0.87 PPARG (0.77) PPARGPPARAPPARDMCL1
SCHEMBL5009219 0.87 PPARG (1.00) PPARGPPARAPPARDMCL1
SCHEMBL5009358 0.86 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL4242468 0.85 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL4241044 0.82 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5006879 0.80 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL18644984 0.80 PPARG (0.87) PPARGPPARAPPARD
SCHEMBL5012486 0.78 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7566431 0.76 PPARG (0.60) PPARGPPARAPPARDMCL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689389-A4 INDOLE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-06-17 EP disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
EP-1689389-A2 INDOLE COMPOUNDS National Health Research Institutes (TW) 2006-08-16 EP disclosed
WO-2005056522-A2 INDOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-23 WO disclosed
US-20050124675-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-09 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-20050124675-A1 Indole compounds PPARG, PPARD, PPARA PPARG 1/4885PPARA 3/4885PPARD 2/4885

“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.