SCHEMBL3746837

SCHEMBL3746837

CCOC(=O)CCCC(O)CC(O)CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
CTSK P43235 1/20 0.36
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13041228 1.00 CYP1A2 (0.41) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL15887301 0.81 CYP2D6 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12567221 0.81 CYP2D6 (0.42) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9005331 0.78 CYP2D6 (0.39) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL28328046 0.78 L3MBTL1 (0.38) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL27643221 0.77 CYP1A2 (0.55) CYP1A2KMT2ANR1I2PGRADORA3
SCHEMBL27527957 0.77 CYP1A2 (0.55) CYP1A2KMT2APOLBNR1I2PGR
SCHEMBL17524245 0.76 CYP1A2 (0.47) CYP1A2KMT2APOLBKDM4EDUSP3
SCHEMBL14520421 0.76 CYP2D6 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3601599 0.76 CYP2D6 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735609-B2 Bryostatin analogues, synthetic methods and uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-05-27 US disclosed
US-8497385-B2 Bryostatin analogues, synthetic methods and uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-07-30 US disclosed
US-20130123518-A1 Bryostatin Analogues, Synthetic Methods and Uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-05-16 US disclosed
US-20100280262-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-11-04 US disclosed
US-20090270492-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-10-29 US disclosed
WO-2009052507-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-04-23 WO disclosed
US-20070270485-A1 Byrostatin analogues, synthetic methods and uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2007-11-22 US disclosed
US-7256286-B2 Bryostatin analogues, synthetic methods and uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-08-14 US disclosed
US-20030220334-A1 Byrostatin analogues, synthetic methods and uses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-11-27 US disclosed
WO-2003070719-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2003-08-28 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 (5 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-20030220334-A1 Byrostatin analogues, synthetic methods and uses BID, HASPIN, HPGDS CYP1A2 3958/4885HDAC3 2788/4885HDAC1 2716/4885
US-20090270492-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES PBK, TK1, BAK1 CYP1A2 4088/4885HDAC3 420/4885HDAC1 159/4885
US-20070270485-A1 Byrostatin analogues, synthetic methods and uses BID, HASPIN, HPGDS CYP1A2 3958/4885HDAC3 2788/4885HDAC1 2716/4885
US-20100280262-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES MCL1, PBK, BID CYP1A2 4724/4885HDAC3 1328/4885HDAC1 824/4885
US-20130123518-A1 Bryostatin Analogues, Synthetic Methods and Uses MCL1, PBK, BID CYP1A2 4724/4885HDAC3 1328/4885HDAC1 824/4885

“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.