SCHEMBL23484907

SCHEMBL23484907

O=C(c1ccc(O)c(O)c1)c1ccc(O)c(O)c1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.45
▸ SNCA P37840 2/20 0.42
▸ DBH P09172 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL30103853 0.83 HDAC1 (0.75) HDAC1HDAC6MAPTPTGS2KDM4E
SCHEMBL5703332 0.83 HDAC1 (0.75) HDAC1HDAC6MAPTPTGS2KDM4E
SCHEMBL1758415 0.80 HDAC1 (0.59) HDAC1HDAC6MAPTPTGS2KDM4E
SCHEMBL26441561 0.79 MAPT (0.52) HDAC6MAPTPTGS2KDM4ECA12
SCHEMBL19003626 0.79 HDAC1 (0.53) HDAC1HDAC6MAPTPTGS2KDM4E
SCHEMBL19003405 0.79 HDAC1 (0.53) HDAC1HDAC6MAPTPTGS2KDM4E
SCHEMBL26441589 0.79 SNCA (0.46) HDAC1MAPTCA1CA2CA4
SCHEMBL19003400 0.78 SNCA (0.53) HDAC1HDAC6MAPTPTGS2KDM4E
SCHEMBL21845034 0.77 HDAC1 (0.47) HDAC1HDAC6MAPTPTGS2KDM4E
SCHEMBL24040805 0.76 PTPN1 (0.58) HDAC1CA1CA2CA4CA6

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-11639325-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-02 — — US disclosed
US-11639325-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-02 — — US disclosed
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-10 — — 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 (2 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-11639325-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 HDAC1 1/4885HDAC6 3/4885MAPT 27/4885
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 HDAC1 1/4885HDAC6 3/4885MAPT 27/4885

“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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