SCHEMBL24398656

SCHEMBL24398656

O=C(O)CCCOc1ccc(N2Cc3ccc(O)cc3OC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.54
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
PPARG P37231 1/20 0.40
XDH P47989 1/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
ALDH2 P05091 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL26938898 0.91 MIF (0.56) MIFHDAC3HDAC1HDAC2DRD4
SCHEMBL24398658 0.85 MIF (0.62) MIFHDAC3HDAC1HDAC2DRD4
SCHEMBL24398532 0.85 MIF (0.40) MIFPPARGXDHALBESR1
SCHEMBL24398653 0.82 MIF (0.59) MIFHDAC3HDAC1HDAC2DRD4
SCHEMBL26938906 0.81 ESR1 (0.55) MIFESR1ESR2
SCHEMBL29507341 0.81 MIF (0.52) MIFESR1ESR2
SCHEMBL24398654 0.81 MIF (0.52) MIFESR1ESR2
SCHEMBL2766991 0.79 MIF (0.74) MIFHDAC3HDAC1HDAC2ESR1
SCHEMBL26938899 0.78 ESR1 (0.50) MIFXDHESR1ESR2
SCHEMBL19985159 0.78 MIF (0.61) MIFHDAC3HDAC1HDAC2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 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 (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-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 MIF 1/4885HDAC3 3212/4885HDAC1 2318/4885

“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.