SCHEMBL18993048

SCHEMBL18993048

O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
PTGS2 P35354 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIRT1 Q96EB6 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
HSD17B14 Q9BPX1 3/20 0.45
DBH P09172 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL18993050 0.85 HDAC1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL19003399 0.82 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10964767 0.81 GAA (0.55) KDM4EGAAMAPTL3MBTL1RECQL
SCHEMBL1918258 0.81 HDAC1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1758192 0.79 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL30152409 0.78 SIRT1 (0.61) GAAPOLBMAPTSIRT1HDAC1
SCHEMBL19003425 0.77 SIRT1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL19003400 0.77 SNCA (0.53) CA12CA1CA2CA7CA9
SCHEMBL10589365 0.75 FASN (0.62) CA12CA1CA2CA7CA9
SCHEMBL21935558 0.75 CA12 (0.58) CA12CA1CA2CA7CA9

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 8 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-11180438-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-11-23 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
US-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2020-03-19 US disclosed
EP-3390347-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS Massachusetts Institute of Technology (US) 2018-10-24 EP disclosed
WO-2017106861-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-22 WO disclosed
WO-2017106861-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-22 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 (4 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 CA12 3937/4885CA1 1764/4885CA2 4324/4885
US-11180438-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 CA12 3937/4885CA1 1764/4885CA2 4324/4885
US-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 CA12 3937/4885CA1 1764/4885CA2 4324/4885
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 CA12 3937/4885CA1 1764/4885CA2 4324/4885

“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.