SCHEMBL24942201

SCHEMBL24942201

CCCCCCCCOCOC(=O)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CES2 O00748 2/20 0.46
PLA2G2C Q5R387 2/20 0.43
NAAA Q02083 1/20 0.43
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
DGKA P23743 1/20 0.39

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
SCHEMBL6897000 0.85 LMNA (0.55) LMNANAAAEPHX1TSHR
SCHEMBL10087932 0.83 LMNA (0.52) LMNANAAAEPHX1TSHR
SCHEMBL1469175 0.80 NAAA (0.52) LMNACES2NAAAEPHX1MEN1
SCHEMBL452059 0.77 ALDH1A1 (0.52) LMNANAAAEPHX1MAPTTSHR
SCHEMBL1469943 0.77 ALDH1A1 (0.50) LMNACES2NAAAEPHX1TSHR
SCHEMBL1469778 0.76 ALDH1A1 (0.45) CES2PLA2G2CEPHX1MAPTTSHR
SCHEMBL7175331 0.76 CES2 (0.59) CES2PLA2G2CNAAAEPHX1MEN1
SCHEMBL895946 0.76 CES2 (0.59) CES2PLA2G2CNAAAEPHX1MEN1
SCHEMBL10937869 0.76 USP2 (0.51) LMNACES2PLA2G2CHTTMAPT
SCHEMBL5550645 0.75 LMNA (0.52) LMNACES2PLA2G2CNAAAEPHX1

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-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

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-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE HADHA, IMPDH1, CYP27A1 LMNA 2751/4885CES2 1078/4885PLA2G2C 2232/4885

“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.