SCHEMBL4821487

SCHEMBL4821487

COc1cc(C(=O)c2ccc(OC)c(OC)c2O)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
TUBB4A P04350 4/20 0.60
TUBB P07437 4/20 0.60
TUBA3C P0DPH7 4/20 0.60
TUBA1B P68363 4/20 0.60
TUBA4A P68366 4/20 0.60
TUBB4B P68371 4/20 0.60
TUBB3 Q13509 4/20 0.60
TUBB2A Q13885 4/20 0.60
TUBB8 Q3ZCM7 4/20 0.60
TUBA3E Q6PEY2 4/20 0.60
TUBA1A Q71U36 4/20 0.60
TUBA1C Q9BQE3 4/20 0.60
TUBB6 Q9BUF5 4/20 0.60
TUBB2B Q9BVA1 4/20 0.60
TUBB1 Q9H4B7 4/20 0.60
KDM4E B2RXH2 3/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 2/20 0.54

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
Hydroxyphenstatin SCHEMBL13197632 0.90 KDM4E (0.67) MAPTTDP1TUBB4ATUBBTUBA3C
Hydroxyphenstatin SCHEMBL30910835 0.90 KDM4E (0.67) MAPTTDP1TUBB4ATUBBTUBA3C
SCHEMBL18539352 0.89 CYP3A4 (0.64) MAPTTDP1TUBB4ATUBBTUBA3C
SCHEMBL4824810 0.88 MAPT (0.59) MAPTTDP1TUBB4ATUBBTUBA3C
SCHEMBL21845093 0.87 TUBB4A (0.60) MAPTTDP1TUBB4ATUBBTUBA3C
SCHEMBL4823325 0.87 TUBB1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27713896 0.86 MAPT (0.76) MAPTTDP1TUBB4ATUBBTUBA3C
SCHEMBL19003376 0.86 HDAC1 (0.60) MAPTTDP1TUBB4ATUBBTUBA3C
SCHEMBL26441450 0.84 TUBB4A (0.54) MAPTTDP1TUBB4ATUBBTUBA3C
SCHEMBL6444260 0.84 MAPT (0.77) MAPTTDP1KDM4EMAPK1HSD17B10

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 18 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
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-101053558-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN disclosed
CN-101056846-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
EP-1603864-A4 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORP (US) 2007-04-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 MAPT 2161/4885TDP1 726/4885TUBB4A 2850/4885
US-11639325-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 MAPT 27/4885TDP1 197/4885TUBB4A 599/4885
US-11180438-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 MAPT 27/4885TDP1 197/4885TUBB4A 599/4885
US-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 MAPT 27/4885TDP1 197/4885TUBB4A 599/4885
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 MAPT 27/4885TDP1 197/4885TUBB4A 599/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES MAPT 2161/4885TDP1 726/4885TUBB4A 2850/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES MAPT 2161/4885TDP1 726/4885TUBB4A 2850/4885

“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.