SCHEMBL6129053

SCHEMBL6129053

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(CCNC(=O)CCCC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
PPARG P37231 5/20 0.47
PPARD Q03181 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
USP1 O94782 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRCA1 P38398 1/20 0.47

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
SCHEMBL6553633 0.86 PPARA (0.50) PPARAPPARGPPARDALDH1A1GMNN
SCHEMBL6552237 0.83 STS (0.53) GMNNUSP2LMNATP53CYP1A2
SCHEMBL6446861 0.80 EPHX2 (0.48) PPARAPPARGPPARDALDH1A1GMNN
SCHEMBL2414598 0.79 HPGD (0.38) ALDH1A1LMNATP53POLBRAB9A
SCHEMBL6552622 0.76 PPARA (0.80) PPARAPPARGPPARDALDH1A1GMNN
SCHEMBL6553638 0.74 PPARA (0.40) PPARAPPARGPPARDALDH1A1GMNN
SCHEMBL12436841 0.73 PPARA (0.63) PPARAPPARGPPARDALDH1A1GMNN
SCHEMBL6129078 0.73 CA1 (0.49) ALDH1A1USP2LMNACYP3A4ALOX15
SCHEMBL23417577 0.72 MEN1 (0.67) ALDH1A1LMNAPOLBMAPTMEN1
SCHEMBL19334502 0.71 NPC1 (0.56) ALDH1A1LMNATP53POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101542-A1 Combination therapy for controlling appetites REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-05-12 US disclosed
US-20050054730-A1 Compounds, compositions and treatment of oleoylethanolamide-like modulators of PPARalpha THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-03-10 US disclosed
WO-2005002524-A2 COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES OF OLEOYLETHANOLAMIDE-LIKE COMPOUNDS AND MODULATORS OF PPARα THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-13 WO disclosed
EP-1149063-B1 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
WO-2004034968-A2 COMBINATION THERAPY FOR CONTROLLING APPETITES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-04-29 WO disclosed
EP-1149063-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2001-10-31 EP disclosed
US-6306854-B1 ARYLTHIOALKYLACIDS AND ALKYL UREAS GLAXOSMITHKLINE 2001-10-23 US disclosed
WO-2000023407-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2000-04-27 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 (2 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-20050101542-A1 Combination therapy for controlling appetites FAAH, FAAH2, GPR119 PPARA 7/4885PPARG 16/4885PPARD 26/4885
US-20050054730-A1 Compounds, compositions and treatment of oleoylethanolamide-like modulators of PPARalpha PPARA, CNR2, CNR1 PPARA 1/4885PPARG 11/4885PPARD 9/4885

“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.