SCHEMBL13698690

SCHEMBL13698690

CCOC(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
PGD P52209 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
PPARA Q07869 3/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL26940445 1.00 THRB (0.33) THRBPGDCA2MAPK1CHRM1
SCHEMBL28286297 0.81 DGKA (0.36) HTR2CADRA1ALMNAALDH1A1
SCHEMBL6560782 0.79 ALDH1A1 (0.35) ALDH1A1MAPTPTGS1
SCHEMBL8599800 0.79 THRB (0.32) THRBCHRM1AKR1A1CHRM3HTR2A
SCHEMBL19958850 0.79 ALOX15 (0.37) THRBCA2LMNA
SCHEMBL21612911 0.77 TSHR (0.31) PGD
SCHEMBL13500176 0.76 MMP3 (0.33)
SCHEMBL21069807 0.76 CTH (0.36) PGDLMNAALDH1A1MAPTPTGS1
SCHEMBL13597519 0.76 KDM4E (0.30)
SCHEMBL5854905 0.76 HTT (0.39) PGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-09-24 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 (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-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G5, PLA2G4A, PLA2G3 THRB 2618/4885PGD 3613/4885CA2 922/4885

“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.