SCHEMBL6817504

SCHEMBL6817504

CCc1ccc(CCOc2ccc(CC(C#N)C(=O)OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.44
PPARA Q07869 4/20 0.44
PPARD Q03181 4/20 0.44
ACACB O00763 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7620781 0.88 PPARA (0.49) PPARGPPARAPPARDACACBL3MBTL1
SCHEMBL9788997 0.82 TAS1R3 (0.46) PPARGPPARAACACBALDH1A1KDM4E
SCHEMBL5992779 0.78 PPARA (0.62) PPARGPPARAPPARDACACBL3MBTL1
SCHEMBL6817241 0.78 PSMB5 (0.43) PPARGPPARAACACBMAPT
SCHEMBL11925791 0.77 NLRP3 (0.47) ALDH1A1HTT
SCHEMBL31474258 0.77 NOS2 (0.48) PPARG
SCHEMBL4755505 0.77 MEN1 (0.45) PPARGPPARAPPARDACACBL3MBTL1
SCHEMBL6818286 0.77 PPARA (0.43) PPARGPPARAPPARDACACBL3MBTL1
SCHEMBL947174 0.76 FFAR1 (0.55) PPARGPPARAPPARDL3MBTL1LMNA
SCHEMBL28384249 0.76 ATM (0.46) PPARGPPARAACACBL3MBTL1FFAR1

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-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed
US-6630509-B2 Pharmaceutical medication associated with insulin resistance; patient with prophylaxis conditions having reduced sensitivity to insulin ASTRAZENECA AB (SE) 2003-10-07 US disclosed
US-20030018207-A1 Phenalkyloxy-phenyl derivatives ASTRAZENECA AB (SE) 2003-01-23 US disclosed
EP-1237857-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040170-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2001-06-07 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 (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-20030018207-A1 Phenalkyloxy-phenyl derivatives GPR119, INSR, IAPP PPARG 47/4885PPARA 74/4885PPARD 60/4885

“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.