SCHEMBL424523

SCHEMBL424523

CC(=O)CCCCOCCC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.46
CES2 O00748 2/20 0.45
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
DGKA P23743 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL148224 0.92 PAOX (0.54) PAOXCES2ALDH1A1ACHEGAA
SCHEMBL14445051 0.92 PAOX (0.48) PAOXCES2ALDH1A1ACHEGAA
SCHEMBL15042803 0.90 CES2 (0.50) PAOXCES2ALDH1A1ACHEGAA
SCHEMBL19532357 0.87 ALDH1A1 (0.45) PAOXCES2ALDH1A1ACHEGAA
SCHEMBL19532353 0.87 ALDH1A1 (0.45) PAOXCES2ALDH1A1ACHEGAA
SCHEMBL1921248 0.87 ALDH1A1 (0.50) PAOXCES2ALDH1A1ACHEGAA
SCHEMBL126775 0.87 ALDH1A1 (0.56) PAOXCES2ALDH1A1ACHEGAA
SCHEMBL25290890 0.86 GAA (0.50) PAOXCES2ALDH1A1ACHEGAA
SCHEMBL20932201 0.86 CES2 (0.57) PAOXCES2ALDH1A1MEN1THRB
SCHEMBL28601607 0.86 CES2 (0.63) CES2ALDH1A1MEN1THRBHTT

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-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-15 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-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY DDOST, SDCBP, STT3B PAOX 1103/4885CES2 149/4885ALDH1A1 2405/4885

“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.