SCHEMBL23331971

SCHEMBL23331971

C=C(CC(=O)NC(Cc1ccccc1)C(=O)OCC)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
TACR1 P25103 1/20 0.50
POLB P06746 3/20 0.49
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 2/20 0.48
ALDH1A1 P00352 2/20 0.48
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MMP8 P22894 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 1/20 0.47
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL23306684 0.90 TP53 (0.56) TP53TACR1POLBGAARAB9A
SCHEMBL23306683 0.90 TP53 (0.56) TP53TACR1POLBGAARAB9A
SCHEMBL24925106 0.85 MMP1 (0.48) POLBCYP2C19
SCHEMBL9487303 0.83 TP53 (0.61) TP53TACR1POLBGAARAB9A
SCHEMBL9487298 0.83 TP53 (0.61) TP53TACR1POLBGAARAB9A
SCHEMBL9146866 0.81 TP53 (0.60) TP53TACR1POLBGAARAB9A
SCHEMBL9385728 0.81 TP53 (0.60) TP53TACR1POLBGAARAB9A
SCHEMBL9385733 0.81 TP53 (0.60) TP53TACR1POLBGAARAB9A
SCHEMBL9146870 0.81 TP53 (0.60) TP53TACR1POLBGAARAB9A
SCHEMBL11559927 0.81 TP53 (0.60) TP53TACR1POLBGAARAB9A

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 TP53 1122/4885TACR1 4166/4885POLB 1132/4885
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE HADHA, IMPDH1, CYP27A1 TP53 1074/4885TACR1 3904/4885POLB 1832/4885

“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.