SCHEMBL23250752

SCHEMBL23250752

O=c1cccc(C2CCC3(CC2)CC3)cc1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ ESR2 Q92731 3/20 0.44
▸ ESR1 P03372 1/20 0.38
▸ KMO O15229 1/20 0.37
▸ QDPR P09417 3/20 0.37
▸ MMP2 P08253 1/20 0.34
▸ DBH P09172 1/20 0.34
▸ ACMSD Q8TDX5 2/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ KIF18A Q8NI77 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL21471548 0.83 HDAC4 (0.74) HDAC4HDAC2HDAC8ESR2KMO
SCHEMBL21471547 0.81 HDAC4 (0.72) HDAC4HDAC2HDAC8KMOQDPR
SCHEMBL23250714 0.80 HDAC4 (0.45) HDAC4HDAC2HDAC8ESR2ESR1
SCHEMBL23258718 0.80 HDAC4 (0.45) HDAC4HDAC2HDAC8ESR2ESR1
SCHEMBL23258566 0.79 QDPR (0.62) HDAC4HDAC2HDAC8KMOQDPR
SCHEMBL23258680 0.79 HDAC4 (0.54) HDAC4HDAC2HDAC8KMOQDPR
SCHEMBL23250721 0.75 HDAC4 (0.49) HDAC4HDAC2HDAC8KMOQDPR
SCHEMBL23250778 0.73 HDAC4 (0.47) HDAC4HDAC2HDAC8KMOQDPR
SCHEMBL27304673 0.73 QDPR (0.69) HDAC4HDAC2HDAC8QDPRDRD2
SCHEMBL27308722 0.72 HDAC4 (0.41) HDAC4HDAC2HDAC8ESR2QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073131-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE UNIVESITY OF ILLINOIS (US) 2024-04-04 — — WO disclosed
US-20230406803-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Kinesid Therapeutics, Inc (US) 2023-12-21 — — US disclosed
EP-4045477-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2022-08-24 — — EP disclosed
WO-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 — — WO disclosed
WO-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 — — 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-20230406803-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS TXNRD2, TFRC, SDHB HDAC4 2346/4885HDAC2 2245/4885HDAC8 2696/4885

“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.

Send feedback