SCHEMBL19003400

SCHEMBL19003400

O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.53
MAPT P10636 4/20 0.53
PTGS2 P35354 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GAA P10253 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
POLB P06746 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SIRT1 Q96EB6 1/20 0.47
DBH P09172 1/20 0.44
RECQL P46063 1/20 0.44
XDH P47989 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
SCHEMBL19003399 0.82 CA12 (0.56) SNCAMAPTPTGS2KDM4ECA12
SCHEMBL19003635 0.81 SNCA (0.50) SNCAMAPTCA12CA1CA2
SCHEMBL11012667 0.81 GAA (0.55) SNCAMAPTKDM4EGAAPOLB
SCHEMBL21845034 0.80 HDAC1 (0.47) SNCAMAPTPTGS2KDM4ECA12
SCHEMBL1758192 0.79 CA12 (0.68) SNCAMAPTPTGS2KDM4ECA12
SCHEMBL23484907 0.78 HDAC1 (0.53) SNCAMAPTPTGS2KDM4ECA12
SCHEMBL30023949 0.78 CNR1 (0.49) SNCAMAPTKDM4EGAAPOLB
SCHEMBL29238849 0.78 SIRT1 (0.61) SNCAMAPTGAAPOLBHDAC6
SCHEMBL18993048 0.77 CA12 (0.50) MAPTPTGS2KDM4ECA12CA1
SCHEMBL1918258 0.77 HDAC1 (0.61) MAPTPTGS2KDM4ECA12CA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103961340-A LSD1 inhibitors and application thereof INST OCEANOLOGY CHINESE ACAD 2014-08-06 CN claimed
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
CN-103961340-B A kind of LSD1 inhibitor and its application 南通中国科学院海洋研究所海洋科学与技术研究发展中心 2019-06-25 CN 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
CN-103961340-A LSD1 inhibitors and application thereof INST OCEANOLOGY CHINESE ACAD 2014-08-06 CN disclosed
CN-103961340-A LSD1 inhibitors and application thereof INST OCEANOLOGY CHINESE ACAD 2014-08-06 CN 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-11639325-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 SNCA 91/4885MAPT 27/4885PTGS2 3291/4885

“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.