SCHEMBL14735154

SCHEMBL14735154

COc1cc(C(C)=O)c(O)c(C=O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ERN1 O75460 6/20 0.46
MCL1 Q07820 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
CYP3A4 P08684 2/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL5658267 0.76 KDM4E (0.54) ERN1MCL1LMNAGAAKDM4E
SCHEMBL11464793 0.73 PKM (0.58) ERN1MCL1LMNAKDM4EPOLB
SCHEMBL27998557 0.73 ERN1 (0.56) ERN1MAPTCYP3A4TLR2TLR1
SCHEMBL21690169 0.73 ERN1 (0.56) ERN1MAPTCYP3A4TLR2TLR1
SCHEMBL5657695 0.72 KDM4E (0.61) ERN1MCL1LMNAGAAKDM4E
SCHEMBL12841729 0.71 ERN1 (0.50) ERN1KDM4EMAPTCYP3A4
SCHEMBL6899605 0.70 HTT (0.53) HTTLMNAGAAKDM4EPOLB
SCHEMBL3659084 0.70 LMNA (0.55) HTTERN1MCL1LMNAGAA
SCHEMBL20630769 0.70 HTT (0.68) HTTLMNAKDM4ECYP3A4RAB9A
SCHEMBL23549384 0.70 KDM4E (0.54) HTTLMNAGAAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103391936-B Carcinostatic agent THE UNIVERSITY OF TOKYO (JP) 2016-04-27 CN 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
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
CN-103391936-A Anticancer agent NAT UNIV CORP UNIV TOKYO 2013-11-13 CN 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 (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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 HTT 3732/4885ERN1 82/4885MCL1 4/4885

“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.