SCHEMBL21471547

SCHEMBL21471547

O=c1cccc(C2CCCCC2)cc1O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.72
▸ HDAC2 Q92769 1/20 0.72
▸ HDAC8 Q9BY41 1/20 0.72
▸ KMO O15229 1/20 0.56
▸ ACMSD Q8TDX5 2/20 0.50
▸ CYP11B2 P19099 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ QDPR P09417 1/20 0.40
▸ SERPINE1 P05121 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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 0.98 HDAC4 (0.74) HDAC4HDAC2HDAC8KMOACMSD
SCHEMBL21471492 0.86 HDAC4 (0.96) HDAC4HDAC2HDAC8KMOACMSD
SCHEMBL21471491 0.84 HDAC4 (1.00) HDAC4HDAC2HDAC8KMOACMSD
SCHEMBL23258566 0.83 QDPR (0.62) HDAC4HDAC2HDAC8KMOQDPR
SCHEMBL23258680 0.83 HDAC4 (0.54) HDAC4HDAC2HDAC8KMOACMSD
SCHEMBL23250752 0.81 HDAC4 (0.53) HDAC4HDAC2HDAC8KMOACMSD
SCHEMBL23433185 0.81 HDAC4 (0.53) HDAC4HDAC2HDAC8KMOACMSD
Hydrogen Peroxide SCHEMBL11391460 0.80 KMO (0.71) HDAC4HDAC2HDAC8KMOACMSD
SCHEMBL669730 0.80 KMO (0.64) HDAC4HDAC2HDAC8KMOACMSD
SCHEMBL5667650 0.80 KMO (0.64) HDAC4HDAC2HDAC8KMOACMSD

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
WO-2024073131-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE UNIVESITY OF ILLINOIS (US) 2024-04-04 — — WO disclosed
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-06-03 — — US disclosed
WO-2019200314-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-10-17 — — 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-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP27A1, CYP27B1, HSD17B7 HDAC4 1472/4885HDAC2 766/4885HDAC8 1482/4885

“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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