SCHEMBL23250755

SCHEMBL23250755

O=c1ccccc(C2CC3CC3C2)c1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DBH P09172 3/20 0.43
▸ HDAC4 P56524 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MMP2 P08253 1/20 0.35
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ AR P10275 5/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ CACNA1H O95180 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ RBP4 P02753 1/20 0.30

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
SCHEMBL21471571 0.78 DBH (0.45) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL21471570 0.77 PTGDR2 (0.45) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL23250689 0.74 DBH (0.41) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL27307118 0.73 DBH (0.43) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL23250754 0.72 DBH (0.38) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL23258492 0.72 DBH (0.38) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL23433216 0.71 PTPN5 (0.38) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL23258491 0.67 DBH (0.37) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL23250742 0.67 DBH (0.37) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL23258490 0.67 DBH (0.37) DBHHDAC4HDAC2HDAC8HDAC6

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 DBH 277/4885HDAC4 2346/4885HDAC2 2245/4885

“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.

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