SCHEMBL13879025

SCHEMBL13879025

CC(CO)CC(CO)c1scc[n+]1CC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 3/20 0.39
RECQL P46063 2/20 0.38
PABPC1 P11940 1/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TRPA1 O75762 2/20 0.35
GLA P06280 1/20 0.34
LMNA P02545 2/20 0.34
ALPG P10696 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Bromide SCHEMBL6009336 0.80 ALDH1A1 (0.50) ALDH1A1POLBKMT2AMEN1RECQL
Bromide SCHEMBL6009283 0.75 POLB (0.45) ALDH1A1POLBKMT2AMEN1RECQL
Bromide SCHEMBL6009264 0.75 ALDH1A1 (0.49) ALDH1A1POLBKMT2AMEN1RECQL
Hydrochloric Acid SCHEMBL7421854 0.71 ALDH1A1 (0.49) ALDH1A1POLBKMT2AMEN1RECQL
Hydrochloric Acid SCHEMBL3844254 0.71 ALDH1A1 (0.46) ALDH1A1POLBKMT2AMEN1RECQL
Bromide SCHEMBL6074531 0.71 ALDH1A1 (0.55) ALDH1A1POLBKMT2AMEN1RECQL
SCHEMBL23752059 0.69 ALDH1A1 (0.53) ALDH1A1POLBKMT2AMEN1RECQL
SCHEMBL18745980 0.69 RAB9A (0.55) ALDH1A1POLBKMT2AMEN1RECQL
Hydrochloric Acid SCHEMBL3845958 0.68 RAB9A (0.54) ALDH1A1POLBKMT2AMEN1RECQL
Bromide SCHEMBL6009338 0.68 KMT2A (0.51) ALDH1A1POLBKMT2AMEN1RECQL

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 2 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-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 (2 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 ALDH1A1 653/4885POLB 3920/4885KMT2A 3186/4885
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA ALDH1A1 1227/4885POLB 2423/4885KMT2A 3689/4885

“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.