SCHEMBL2498022

SCHEMBL2498022

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
PTGS1 P23219 1/20 0.45
CACNA1C Q13936 1/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 1/20 0.37
TNF P01375 2/20 0.37
RAB9A P51151 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
SCHEMBL2502887 1.00 TRPA1 (0.45) TRPA1PTGS1CACNA1CGAACYP1A2
SCHEMBL2503226 0.85 TNF (0.44) GAATNFFFAR1PDE4APDE4B
SCHEMBL2497023 0.85 TNF (0.44) GAATNFFFAR1PDE4APDE4B
SCHEMBL2495291 0.84 ADRB1 (0.46) GAAALDH1A1MAPTHTTF2
SCHEMBL2501253 0.84 ADRB1 (0.46) GAAALDH1A1MAPTHTTF2
SCHEMBL3654833 0.83 GAA (0.49) TRPA1PTGS1CACNA1CGAACYP1A2
SCHEMBL3652899 0.83 GAA (0.49) TRPA1PTGS1CACNA1CGAACYP1A2
SCHEMBL10285065 0.80 ESR1 (0.51) PTGS1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13743801 0.80 ESR1 (0.51) PTGS1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2498458 0.78 F2 (0.46) GAALMNAALDH1A1F2F10

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 TRPA1 330/4885PTGS1 957/4885CACNA1C 3177/4885

“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.