SCHEMBL3966545

SCHEMBL3966545

CCCCCCCN(CC1CCCCC1)C(=O)COc1ccc(C[C@H](OCC)C(=O)OCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.39
PPARG P37231 8/20 0.38
PPARD Q03181 3/20 0.38
CNR2 P34972 1/20 0.38
LPAR3 Q9UBY5 1/20 0.37
FFAR1 O14842 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4075588 0.92 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL4251360 0.92 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3960794 0.81 TRPM8 (0.52) PPARAPPARGPPARDCNR2ALDH1A1
SCHEMBL3967724 0.81 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL3959939 0.80 HTR2A (0.43) PPARAPPARGPPARD
SCHEMBL3961357 0.79 PPARA (0.47) PPARAPPARGPPARDCNR2
SCHEMBL3966547 0.78 FFAR1 (0.42) FFAR1MEN1ALDH1A1MAPTMAPK1
SCHEMBL3966551 0.77 NPSR1 (0.40) PPARAPPARGCNR2MEN1ALDH1A1
SCHEMBL5976535 0.77 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL3963233 0.77 HTR2A (0.42) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-7256307-B2 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor α(PPAR) ASTRAZENECA AB (SE) 2007-08-14 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050113362-A1 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) ASTRAZENECA AB R & D HEADQUARTERS - GLOBAL IINTELLECTUAL PROPERT (SE) 2005-05-26 US 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-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP PPARA 346/4885PPARG 228/4885PPARD 623/4885
US-20050113362-A1 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) PPARA, PPARD, PPARG PPARA 1/4885PPARG 3/4885PPARD 2/4885

“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.