SCHEMBL5028964

SCHEMBL5028964

COc1cc(Sc2cc(OC)c(OC(C)C)cc2Br)c(Br)cc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PRKDC P78527 1/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
HTR2A P28223 4/20 0.38
TAAR1 Q96RJ0 2/20 0.38

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
SCHEMBL5028969 0.78 MAPT (0.44) MAPTNPSR1PRKDCACHEPOLB
SCHEMBL14581179 0.78 MAPT (0.44) MAPTNPSR1PRKDCACHEPOLB
SCHEMBL28844605 0.77 MAPT (0.43) MAPTNPSR1POLBL3MBTL1HTR2A
SCHEMBL14811235 0.76 HTR2A (0.47) MAPTNPSR1HTR2ATAAR1
SCHEMBL31081199 0.75 CYP1A2 (0.43) MAPTNPSR1ACHELCKFYN
SCHEMBL661281 0.75 CYP1A2 (0.43) MAPTNPSR1ACHELCKFYN
SCHEMBL31081166 0.74 LCK (0.59) MAPTNPSR1PRKDCACHELCK
SCHEMBL660822 0.74 PRKDC (0.77) MAPTNPSR1PRKDCACHEPOLB
SCHEMBL5355957 0.74 PDE4A (0.46) MAPTNPSR1HTR2ATAAR1
SCHEMBL5354491 0.74 HTR2A (0.45) MAPTNPSR1HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP disclosed
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 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 (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-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 MAPT 28/4885NPSR1 3662/4885PRKDC 676/4885

“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.