SCHEMBL5859969

SCHEMBL5859969

CCOC(=O)CC1(C)CCc2cccc(C)c2O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
PPARG P37231 2/20 0.37
NLRP3 Q96P20 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 1/20 0.36
AKT1 P31749 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALOX5 P09917 2/20 0.35
NR1I2 O75469 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 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
SCHEMBL5859975 0.82 PPARG (0.46) L3MBTL1GAASIGMAR1PPARGPPARD
SCHEMBL20822119 0.79 ALOX5 (0.42) L3MBTL1PPARGPPARDPPARAAKT1
SCHEMBL20819453 0.78 AKT1 (0.41) L3MBTL1PPARGPPARAAKT1ALOX5
SCHEMBL8376689 0.78 AKT1 (0.41) L3MBTL1PPARGPPARAAKT1ALOX5
SCHEMBL5858834 0.78 PPARG (0.40) PPARGPPARAAKT1ALOX5NR1I2
SCHEMBL20822160 0.76 AKT1 (0.37) L3MBTL1PPARGPPARAAKT1ALOX5
SCHEMBL24157975 0.74 KMT2A (0.48) L3MBTL1GAAKMT2A
SCHEMBL5859204 0.73 PPARG (0.45) L3MBTL1GAAPPARGPPARDPPARA
SCHEMBL5860037 0.72 PPARG (0.45) GAAPPARGPPARDPPARAKCNH2
SCHEMBL20819446 0.71 TP53 (0.37) L3MBTL1POLBKMT2A

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 L3MBTL1 4443/4885GAA 866/4885SIGMAR1 3188/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG L3MBTL1 4443/4885GAA 866/4885SIGMAR1 3188/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG L3MBTL1 4443/4885GAA 866/4885SIGMAR1 3188/4885

“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.