SCHEMBL3967724

SCHEMBL3967724

CCCCCCN(CCc1ccccc1)C(=O)COc1ccc(C[C@H](OCC)C(=O)OCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.46
PPARG P37231 10/20 0.46
PPARD Q03181 5/20 0.46
TRPM8 Q7Z2W7 1/20 0.43
PTPN1 P18031 1/20 0.43
ALOX5 P09917 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 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
SCHEMBL5294723 0.92 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3273896 0.92 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL5916231 0.91 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3960794 0.91 TRPM8 (0.52) PPARAPPARGPPARDTRPM8
Water SCHEMBL5916134 0.91 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL5691776 0.90 PPARA (0.48) PPARAPPARGPPARDPTPN1CA12
SCHEMBL5916232 0.90 PPARA (0.48) PPARAPPARGPPARDPTPN1CA12
SCHEMBL3959647 0.84 PPARA (0.55) PPARAPPARGPPARDTRPM8ALOX5
SCHEMBL5283269 0.84 FFAR1 (0.56) PPARAPPARGTRPM8ALOX5CA12
SCHEMBL3963119 0.83 PPARA (0.59) PPARAPPARGPPARDTRPM8

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-7514471-B2 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor α (PPAR) ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050171204-A1 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) ASTRAZENECA AB (SE) 2005-08-04 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-20050171204-A1 Substituted phenylpropionic 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.