SCHEMBL24925397

SCHEMBL24925397

CCCCCCOCC1=C(C)C(=O)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 7/20 0.41
CDC25B P30305 7/20 0.41
CDC25C P30307 6/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CES2 O00748 2/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NAAA Q02083 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL24924990 0.93 CDC25A (0.36) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL23338260 0.78
SCHEMBL24925289 0.78 CDC25A (0.39) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL6237311 0.77 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL6238772 0.77 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL6238660 0.77 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL10663018 0.77 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL10908238 0.77 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL23581852 0.74 CDC25A (0.56) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL3292856 0.71 CDC25A (0.33) CDC25ACDC25BCDC25CHTT

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-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 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-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 CDC25A 277/4885CDC25B 458/4885CDC25C 567/4885

“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.