SCHEMBL2398239

SCHEMBL2398239

O=CC(CC(=O)O)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.45
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL28585127 0.78 ALDH1A1 (0.39) SLC1A3SLC1A2SLC1A1GAAALDH1A1
SCHEMBL2035900 0.77 SLC1A3 (0.48) MIFSLC1A3SLC1A2SLC1A1GAA
SCHEMBL19143361 0.77 MIF (0.47) MIFSLC1A3SLC1A2SLC1A1GAA
SCHEMBL11070093 0.77 CPA1 (0.56) MIFSLC1A3SLC1A2SLC1A1GAA
SCHEMBL18906025 0.77 MIF (0.47) MIFSLC1A3SLC1A2SLC1A1GAA
SCHEMBL2029905 0.77 SLC1A3 (0.48) MIFSLC1A3SLC1A2SLC1A1GAA
SCHEMBL2029903 0.77 SLC1A3 (0.48) MIFSLC1A3SLC1A2SLC1A1GAA
SCHEMBL27876641 0.75 ALDH1A1 (0.47) MIFSLC1A3SLC1A2SLC1A1GAA
SCHEMBL6375241 0.74 MIF (0.45) MIFSLC1A3SLC1A2SLC1A1GAA
SCHEMBL6382413 0.74 MIF (0.45) MIFSLC1A3SLC1A2SLC1A1GAA

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC MIF 4668/4885SLC1A3 2151/4885SLC1A2 2094/4885

“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.