SCHEMBL3967726

SCHEMBL3967726

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PLA2G4B P0C869 1/20 0.39
LPAR1 Q92633 1/20 0.38
PPARD Q03181 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3960796 0.92 TRPM8 (0.48) TRPM8NPC1RAB9ALPAR1LMNA
SCHEMBL5283268 0.84 ALOX5 (0.46) ALOX5TRPM8CA12CA1CA2
SCHEMBL3959641 0.84 TRPM8 (0.46) ALOX5TRPM8PPARGPPARALPAR1
SCHEMBL5297145 0.83 FFAR1 (0.52) PPARG
SCHEMBL5294723 0.82 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL3273896 0.82 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL3963025 0.81 TRPM8 (0.63) TRPM8NPC1RAB9ALMNA
Water SCHEMBL5916134 0.81 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL5916231 0.81 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL3966547 0.81 FFAR1 (0.42) NPC1RAB9ATHRBPLA2G4BLMNA

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 ALOX5 590/4885TRPM8 4071/4885CA12 4611/4885
US-20050171204-A1 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) PPARA, PPARD, PPARG ALOX5 687/4885TRPM8 2840/4885CA12 4838/4885

“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.