SCHEMBL2497023

SCHEMBL2497023

CC[C@H](CC(=O)OC)c1ccc(C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.44
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
GAA P10253 1/20 0.43
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
FFAR1 O14842 1/20 0.39

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
SCHEMBL2503226 1.00 TNF (0.44) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL3658199 0.87 GAA (0.57) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL3657093 0.87 GAA (0.57) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2498022 0.85 TRPA1 (0.45) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2502887 0.85 TRPA1 (0.45) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2499131 0.84 PDE4A (0.47) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2497909 0.84 PDE4A (0.47) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL12220837 0.82 CYP3A4 (0.40) GAABCHEACHETAS1R3TAS1R1
SCHEMBL21374916 0.80 CYP3A4 (0.46) GAABCHEACHETAS1R3TAS1R1
SCHEMBL2497024 0.77 GAA (0.53) TNFPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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 (1 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 TNF 3911/4885PDE4A 525/4885PDE4B 611/4885

“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.