SCHEMBL14734976

SCHEMBL14734976

O=C1COc2c1ccc(O)c2I

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.68
PARP1 P09874 1/20 0.44
TYR P14679 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALPI P09923 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30251167 0.82 MAOB (0.47) PSMB5TYRMAPTKDM4EPOLB
SCHEMBL23882888 0.82 MAOB (0.47) PSMB5TYRMAPTKDM4EPOLB
SCHEMBL6611223 0.81 PSMB5 (1.00) PSMB5PARP1ESR1ESR2MAPT
SCHEMBL1429265 0.78 PSMB5 (0.68) PSMB5PARP1TYRESR1ESR2
SCHEMBL18863997 0.78 PSMB5 (0.49) PSMB5PARP1MAPTMRGPRX4
SCHEMBL1429323 0.78 PSMB5 (0.68) PSMB5PARP1TYRESR1ESR2
SCHEMBL14883956 0.78 PSMB5 (0.49) PSMB5PARP1TYRESR1ESR2
SCHEMBL18864003 0.78 PSMB5 (0.49) PSMB5PARP1MAPTMRGPRX4MEN1
SCHEMBL1429217 0.78 PSMB5 (0.68) PSMB5PARP1TYRESR1ESR2
SCHEMBL28756435 0.78 PSMB5 (0.68) PSMB5PARP1TYRESR1ESR2

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-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 US disclosed
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP 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 (2 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-20170145005-A1 KINASE INHIBITOR PIM3, PIM1, PIM2 PSMB5 3436/4885PARP1 2095/4885TYR 1911/4885
US-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 PSMB5 4506/4885PARP1 331/4885TYR 571/4885

“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.