SCHEMBL2861239

SCHEMBL2861239

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)c(O)c2)c(CC(=O)N(CCO)CCO)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PDE4B Q07343 5/20 0.38
PDE4A P27815 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL2854406 0.96 KDM4E (0.39) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL2863296 0.90 KDM4E (0.34) KDM4EPDE4B
SCHEMBL5489363 0.90 KDM4E (0.43) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL2857247 0.90 KDM4E (0.40) KDM4EPDE4BCYP1A2HSP90AA1HSP90AB1
SCHEMBL2861636 0.89 KDM4E (0.45) KDM4EPDE4BCYP1A2ALDH1A1HPGD
SCHEMBL2865029 0.87 KDM4E (0.45) KDM4EPDE4BALDH1A1HPGDACHE
SCHEMBL2868855 0.87 KDM4E (0.41) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL2865268 0.87 KDM4E (0.45) KDM4EPDE4BALDH1A1HPGDACHE
SCHEMBL2863148 0.86 KDM4E (0.41) KDM4EPDE4BALDH1A1HPGDACHE
SCHEMBL2866304 0.86 KDM4E (0.47) KDM4EPDE4BPDE4APDE4CPDE4D

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-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US 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-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885PDE4B 4345/4885PDE4A 4361/4885

“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.