SCHEMBL24925613

SCHEMBL24925613

C=C(CC(=O)OC)C(=O)Oc1ccc(CC(N)C(=O)NC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CSK P41240 1/20 0.34
SLC7A5 Q01650 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CACNA1B Q00975 1/20 0.34
CTSC P53634 1/20 0.34
LTA4H P09960 1/20 0.34
LNPEP Q9UIQ6 3/20 0.34
ERAP2 Q6P179 1/20 0.34
GPR142 Q7Z601 1/20 0.34

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
SCHEMBL23331972 0.91 PTPN1 (0.34) PTPN1ALDH1A1LMNAMAPTHTT
SCHEMBL24942214 0.89 PTPN1 (0.33) PTPN1ALDH1A1LMNAMAPTHTT
SCHEMBL24942238 0.88 MMP1 (0.36) PTPN1CSKSLC7A5HDAC8
SCHEMBL23339153 0.85 ALDH1A1 (0.37) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL23332014 0.82 CTSC (0.35) PTPN1ALDH1A1LMNAMAPTHTT
SCHEMBL24942202 0.81 CTSC (0.34) PTPN1ALDH1A1LMNAMAPTHTT
SCHEMBL23332129 0.80 MGLL (0.42) HSD17B10
SCHEMBL23306559 0.80 MGLL (0.42) HSD17B10
SCHEMBL23306460 0.78 LTA4H (0.47) ALDH1A1SLC7A5LTA4HLNPEP
SCHEMBL23332010 0.78 LTA4H (0.47) ALDH1A1SLC7A5LTA4HLNPEP

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 PTPN1 2934/4885ALDH1A1 230/4885LMNA 4130/4885

“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.