SCHEMBL13879017

SCHEMBL13879017

CCC(=O)C(=O)CCCO

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.52
CES2 O00748 6/20 0.52
CAMK2A Q9UQM7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20163309 0.85 CAMK2A (0.59) CES1CES2CAMK2ASMN1; SMN2KDM4E
SCHEMBL17512855 0.83 CES1 (0.67) CES1CES2CAMK2ASMN1; SMN2ALDH1A1
SCHEMBL11443620 0.82
SCHEMBL534999 0.80 CES1 (0.82) CES1CES2ALDH1A1GPR84HSD17B10
SCHEMBL9196094 0.78 CES1 (0.83) CES1CES2ALDH1A1GPR84FFAR1
SCHEMBL27606015 0.77 CAMK2A (0.40) CES1CES2CAMK2ASMN1; SMN2KDM4E
SCHEMBL8045297 0.76 CES2 (0.84) CES1CES2ALDH1A1GPR84FFAR1
SCHEMBL26130404 0.76 CES2 (0.84) CES1CES2ALDH1A1GPR84FFAR1
SCHEMBL1171469 0.76 CES2 (0.84) CES1CES2ALDH1A1GPR84FFAR1
SCHEMBL3100639 0.76 CES2 (0.84) CES1CES2ALDH1A1GPR84FFAR1

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-20090088461-A1 Methods of Treating or Preventing Cardiac Disease Associated With a High Fat Diet SYNVISTA THERAPEUTICS, INC. (US) 2009-04-02 US disclosed
US-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts CERAMI ANTHONY 2008-06-05 US disclosed
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts SYNVISTA THERAPEUTICS, INC. 2007-02-01 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 (3 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-20090088461-A1 Methods of Treating or Preventing Cardiac Disease Associated With a High Fat Diet FABP3, TXNRD2, PPARD CES1 575/4885CES2 1480/4885CAMK2A 1710/4885
US-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA CES1 1715/4885CES2 3100/4885CAMK2A 3450/4885
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA CES1 1831/4885CES2 3033/4885CAMK2A 3420/4885

“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.