SCHEMBL19003423

SCHEMBL19003423

COc1cc(C(=O)c2ccc(O)c(O)c2O)cc(O)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.72
PTGS2 P35354 1/20 0.57
MAPT P10636 7/20 0.54
KDM4E B2RXH2 6/20 0.54
HSD17B10 Q99714 5/20 0.54
ALOX15 P16050 4/20 0.54
HPGD P15428 4/20 0.54
RECQL P46063 4/20 0.54
LMNA P02545 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
CYP3A4 P08684 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX12 P18054 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49

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
SCHEMBL19003376 0.89 HDAC1 (0.60) HDAC1MAPTKDM4EHSD17B10ALOX15
SCHEMBL353184 0.87 SLC22A6 (0.72) HDAC1MAPTKDM4EHSD17B10ALOX15
SCHEMBL29670589 0.87 SLC22A6 (0.72) HDAC1MAPTKDM4EHSD17B10ALOX15
SCHEMBL9639578 0.85 MAPT (0.69) HDAC1PTGS2MAPTKDM4EHSD17B10
SCHEMBL8686068 0.85 HDAC1 (0.69) HDAC1MAPTKDM4EHSD17B10ALOX15
Exifone SCHEMBL273096 0.84 HDAC1 (1.00) HDAC1MAPTKDM4EHSD17B10ALOX15
Exifone SCHEMBL29375026 0.84 HDAC1 (1.00) HDAC1MAPTKDM4EHSD17B10ALOX15
Exifone SCHEMBL27795679 0.83 HDAC1 (0.96) HDAC1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6847401 0.80 HDAC1 (0.84) HDAC1MAPTKDM4EHSD17B10ALOX15
SCHEMBL30669853 0.80 HDAC1 (0.84) HDAC1MAPTKDM4EHSD17B10ALOX15

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 6 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
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 HDAC1 1/4885PTGS2 3291/4885MAPT 27/4885
US-11180438-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 HDAC1 1/4885PTGS2 3291/4885MAPT 27/4885
US-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 HDAC1 1/4885PTGS2 3291/4885MAPT 27/4885
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 HDAC1 1/4885PTGS2 3291/4885MAPT 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.