SCHEMBL4823325

SCHEMBL4823325

COc1cc(C(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.59
TUBB4A P04350 5/20 0.59
TUBB P07437 5/20 0.59
TUBA3C P0DPH7 5/20 0.59
TUBA1B P68363 5/20 0.59
TUBA4A P68366 5/20 0.59
TUBB4B P68371 5/20 0.59
TUBB3 Q13509 5/20 0.59
TUBB2A Q13885 5/20 0.59
TUBB8 Q3ZCM7 5/20 0.59
TUBA3E Q6PEY2 5/20 0.59
TUBA1A Q71U36 5/20 0.59
TUBA1C Q9BQE3 5/20 0.59
TUBB6 Q9BUF5 5/20 0.59
TUBB2B Q9BVA1 5/20 0.59
PDK1 Q15118 1/20 0.51

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
SCHEMBL21845093 0.87 TUBB4A (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4818613 0.87 MAPT (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4821487 0.87 MAPT (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9726919 0.85 MAPT (0.58) TUBB1
SCHEMBL7367549 0.84 MAPT (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6899973 0.84 TUBB4A (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19003369 0.84 TUBB1 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydroxyphenstatin SCHEMBL13197632 0.83 KDM4E (0.67) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydroxyphenstatin SCHEMBL30910835 0.83 KDM4E (0.67) TUBB1TUBB4ATUBBTUBA3CTUBA1B
3,4,5-Trimethoxybenzoic Acid SCHEMBL2327557 0.83 TPMT (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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 21 patents — showing the first 20. 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
US-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 US disclosed
US-20080114061-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2008-05-15 US disclosed
US-7312241-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2007-12-25 US disclosed
CN-101056846-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN disclosed
CN-101053558-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
CN-1780811-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2006-05-31 CN disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 EP disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 US disclosed
US-20050014727-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-01-20 US disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO disclosed
US-6777578-B2 INHIBITOR OF TUBULIN POLYMERIZATION; ANTINEOPLASTIC ACTIVITY ARIZONA BOARD OF REGENTS 2004-08-17 US disclosed
US-20030220304-A1 Hydroxyphenstatin and the prodrugs thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-11-27 US disclosed
WO-1997007790-A9 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF INFECTIOUS DISEASES 1997-09-25 WO disclosed
WO-1997007790-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORPORATION (US) 1997-03-06 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 (8 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES TUBB1 3121/4885TUBB4A 2850/4885TUBB 3365/4885
US-20030220304-A1 Hydroxyphenstatin and the prodrugs thereof TK1, TUBB8, PHPT1 TUBB1 7/4885TUBB4A 25/4885TUBB 9/4885
US-11639325-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 TUBB1 643/4885TUBB4A 599/4885TUBB 605/4885
US-11180438-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 TUBB1 643/4885TUBB4A 599/4885TUBB 605/4885
US-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 TUBB1 643/4885TUBB4A 599/4885TUBB 605/4885
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 TUBB1 643/4885TUBB4A 599/4885TUBB 605/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES TUBB1 3121/4885TUBB4A 2850/4885TUBB 3365/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES TUBB1 3121/4885TUBB4A 2850/4885TUBB 3365/4885

“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.