SCHEMBL4394893

SCHEMBL4394893

COCCc1c(C(=O)C(F)(F)F)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
TP53 P04637 1/20 0.36
MLYCD O95822 2/20 0.36
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSP90B1 P14625 1/20 0.34
HSP90AA1 P07900 4/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL4382744 0.86 CNR2 (0.41) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4392291 0.85 HK2 (0.42) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4386082 0.84 HSP90B1 (0.49) LMNAHSP90B1HSP90AA1
SCHEMBL2864985 0.84 CNR2 (0.43) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4381427 0.82 CNR2 (0.41) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4386712 0.81 FFAR1 (0.42) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4388307 0.79 EGFR (0.39) TP53MLYCDHDAC6KDM4E
SCHEMBL4386331 0.78 HK2 (0.37) CNR2KDM4EHSP90B1HSP90AA1
SCHEMBL4392537 0.78 HK2 (0.39) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4381426 0.77 CNR2 (0.40) CNR2TP53PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CNR2 1898/4885TP53 918/4885MLYCD 4519/4885

“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.