SCHEMBL5859975

SCHEMBL5859975

CCOC(=O)CC1(C)CCc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
GAA P10253 5/20 0.44
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
APEX1 P27695 2/20 0.40
NOTUM Q6P988 1/20 0.39
RECQL P46063 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL5859204 0.83 PPARG (0.45) PPARGPPARDPPARAGAAALDH1A1
SCHEMBL5859969 0.82 L3MBTL1 (0.44) PPARGPPARDPPARAGAANOTUM
SCHEMBL5860037 0.79 PPARG (0.45) PPARGPPARDPPARAGAAALDH1A1
SCHEMBL10506242 0.78 ALDH1A1 (0.45) PPARAGAAALDH1A1MAPTKDM4E
SCHEMBL11256078 0.77 SIGMAR1 (0.44) PPARGPPARAALDH1A1LMNASMN1; SMN2
SCHEMBL24157975 0.76 KMT2A (0.48) GAAALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL11815671 0.74 ALDH1A1 (0.47) GAAALDH1A1MAPTKDM4EAPEX1
SCHEMBL10962460 0.74 AKT1 (0.44) PPARGPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL3181335 0.74 AKT1 (0.42) PPARGPPARDPPARAMAPTKDM4E
SCHEMBL30241136 0.74 OPRM1 (0.41) GAAALDH1A1MAPTKDM4EAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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 (3 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-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885

“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.