SCHEMBL19003471

SCHEMBL19003471

COc1c(O)ccc(C(=O)c2cc(O)c(O)c(O)c2)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.64
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL19003473 0.87 HDAC1 (0.64) HDAC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1758178 0.86 MAPT (0.52) HDAC1KDM4ETDP1LMNAMAPT
SCHEMBL25381912 0.83 MAPT (0.64) KDM4ETDP1LMNAGAAMAPT
SCHEMBL8686068 0.83 HDAC1 (0.69) HDAC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29215654 0.82 NPC1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29215760 0.81 CYP3A4 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11039738 0.80 HPGD (0.58) KDM4ELMNAMAPTMAPK1HSD17B10
SCHEMBL9639578 0.80 MAPT (0.69) HDAC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19003423 0.79 HDAC1 (0.72) HDAC1TUBB4ATUBBTUBA3CTUBA1B
Exifone SCHEMBL273096 0.78 HDAC1 (1.00) HDAC1KDM4ETDP1LMNAPOLB

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 5 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-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 1/4885TUBB4A 599/4885TUBB 605/4885
US-11180438-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 HDAC1 1/4885TUBB4A 599/4885TUBB 605/4885
US-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 HDAC1 1/4885TUBB4A 599/4885TUBB 605/4885
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 HDAC1 1/4885TUBB4A 599/4885TUBB 605/4885

“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.