SCHEMBL30378377

SCHEMBL30378377

CC(C)=CCc1cc(/C=C/C(=O)O)cc(C/C=C(/C)CO)c1O

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 15/20 0.84
AKR1B10 O60218 2/20 0.84
AKR1B1 P15121 2/20 0.84
MMP2 P08253 1/20 0.84
PAK1 Q13153 1/20 0.84
ALOX5 P09917 2/20 0.54
PTGES O14684 1/20 0.54
NFKB1 P19838 1/20 0.54
STAT3 P40763 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PTPN1 P18031 2/20 0.54
AKR1C2 P52895 13/20 0.53
OSBP P22059 1/20 0.46
AKR1C4 P17516 1/20 0.45

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
SCHEMBL23742688 1.00 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL11036838 1.00 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL11036550 1.00 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL29574915 1.00 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL23742687 1.00 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
Artepillin SCHEMBL1229229 0.92 AKR1C3 (1.00) AKR1C3AKR1B10AKR1B1MMP2PAK1
Artepillin SCHEMBL2138507 0.92 AKR1C3 (1.00) AKR1C3AKR1B10AKR1B1MMP2PAK1
Artepillin SCHEMBL7128580 0.92 AKR1C3 (1.00) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL26422779 0.89 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL26422803 0.89 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1

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-20230129745-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TO TREAT METABOLIC DISEASE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2023-04-27 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-20230129745-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TO TREAT METABOLIC DISEASE ASAH1, ACACB, ACACA AKR1C3 326/4885AKR1B10 525/4885AKR1B1 239/4885

“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.