SCHEMBL5210592

SCHEMBL5210592

CCCCC(Oc1ccccc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
PPARG P37231 6/20 0.50
ALOX5 P09917 2/20 0.50
PTGES O14684 1/20 0.50
ALDH2 P05091 2/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARA Q07869 5/20 0.46
POLB P06746 1/20 0.46
CTRC Q99895 1/20 0.44
PIN1 Q13526 1/20 0.44
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL27504808 0.90 PPARG (0.55) TDP1PPARGLMNAL3MBTL1PPARA
SCHEMBL8722173 0.89 PPARG (0.51) TDP1PPARGALOX5PTGESPPARA
SCHEMBL7248945 0.88 PPARG (0.51) TDP1PPARGALOX5PTGESLMNA
SCHEMBL28003097 0.88 PPARG (0.51) TDP1PPARGALOX5PTGESL3MBTL1
SCHEMBL11858517 0.88 PPARG (0.50) TDP1PPARGALOX5PTGESLMNA
SCHEMBL24805048 0.86 ALDH2 (0.49) TDP1PPARGALDH2L3MBTL1PPARA
SCHEMBL11548178 0.86 TDP1 (0.47) TDP1PPARGALOX5PTGESALDH2
SCHEMBL289442 0.85 PPARG (0.64) PPARGALOX5PTGESPPARACTRC
SCHEMBL8935884 0.85 PPARG (0.64) PPARGALOX5PTGESPPARACTRC
SCHEMBL11546727 0.85 TDP1 (0.46) TDP1PPARGALOX5PTGESALDH2

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
CN-101675912-A cosmetic and dermatological formulations containing phenoxyalkyl esters EVONIK GOLDSCHMIDT GMBH 2010-03-24 CN disclosed
EP-1313717-B1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-10-17 EP disclosed
US-7176224-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2007-02-13 US disclosed
US-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 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-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARD, PPARG TDP1 3890/4885PPARG 3/4885ALOX5 1523/4885

“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.