SCHEMBL14735306

SCHEMBL14735306

COc1cc(C)c(OCC(=O)O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.47
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
PTPRB P23467 1/20 0.44
HTT P42858 1/20 0.43
PPARD Q03181 4/20 0.43
PPARG P37231 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 3/20 0.42
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
CDC25B P30305 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4134482 0.85 CASP3 (0.45) KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL14883883 0.82 KDM4E (0.51) KDM4EMCL1HSD17B10HPGDPTPRB
SCHEMBL10422136 0.80 CDC25B (0.46) KDM4ELMNAHPGDHTTNPC1
SCHEMBL2565863 0.79 CDC25B (0.43) KDM4EMCL1HSD17B10HPGDHTT
SCHEMBL14735435 0.76 HPGD (0.45) KDM4ELMNAHSD17B10HPGDPOLB
SCHEMBL5124637 0.74 LMNA (0.72) LMNAMCL1HSD17B10HPGDPTPRB
SCHEMBL5387842 0.74 LMNA (0.72) LMNAMCL1HSD17B10HPGDPTPRB
SCHEMBL4147094 0.73 KDM4E (0.59) KDM4ELMNAHSD17B10HTTPPARD
SCHEMBL4400139 0.73 HMGB1 (0.55) KDM4EMCL1HSD17B10HPGDHTT
SCHEMBL384123 0.73 POLB (0.57) KDM4EMCL1HSD17B10HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4E 540/4885LMNA 2691/4885MCL1 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.