SCHEMBL23332020

SCHEMBL23332020

CC1=C(COC(C)C)C(=O)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 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
SCHEMBL24925071 0.83 IDO1 (0.31) IDO1
SCHEMBL24942194 0.81
SCHEMBL24942190 0.78
SCHEMBL24925115 0.77
SCHEMBL24925289 0.74 CDC25A (0.39)
SCHEMBL23338260 0.73
SCHEMBL8134293 0.72 IDO1 (0.32) IDO1
SCHEMBL23332376 0.72
SCHEMBL3292856 0.69 CDC25A (0.33)
SCHEMBL24924990 0.68 CDC25A (0.36)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-01-26 US disclosed
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 US disclosed
WO-2021087083-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 WO disclosed
WO-2021087082-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 WO 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-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 IDO1 19/4885
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE HADHA, IMPDH1, CYP27A1 IDO1 274/4885

“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.