SCHEMBL3967928

SCHEMBL3967928

CCCCN(Cc1cccc(OC)c1OC)C(=O)COc1ccc(C[C@H](OCC)C(=O)OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
BCHE P06276 7/20 0.39
LPAR1 Q92633 2/20 0.38
PPARD Q03181 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL3961310 0.97 POLB (0.43) POLBUSP2HSD17B10PPARAPPARG
SCHEMBL3960100 0.92 PPARA (0.49) POLBUSP2HSD17B10PPARAPPARG
SCHEMBL4065936 0.89 PPARA (0.48) POLBUSP2HSD17B10PPARAPPARG
SCHEMBL3962739 0.89 PPARA (0.48) POLBUSP2HSD17B10PPARAPPARG
SCHEMBL3959647 0.80 PPARA (0.55) PPARAPPARGBCHELPAR1PPARD
SCHEMBL3962882 0.80 POLB (0.55) POLBPPARAPPARGNPC1PPARD
SCHEMBL3960794 0.79 TRPM8 (0.52) PPARAPPARGLPAR1PPARDLPAR2
SCHEMBL3967930 0.79 POLB (0.46) POLBUSP2HSD17B10NPC1CYP1A2
SCHEMBL3965289 0.78 HTR2A (0.42) USP2HSD17B10PPARAPPARGPPARD
SCHEMBL3963233 0.78 HTR2A (0.42) USP2HSD17B10PPARAPPARGPPARD

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 3 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-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 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-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG POLB 2597/4885USP2 3611/4885HSD17B10 187/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP POLB 4022/4885USP2 4267/4885HSD17B10 193/4885

“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.