SCHEMBL2861776

SCHEMBL2861776

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)c(OCCOC)c2)c(C(CC)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PDE4B Q07343 2/20 0.41
TP53 P04637 1/20 0.39
SMPD1 P17405 5/20 0.37
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL2859124 0.96 KDM4E (0.49) KDM4EPDE4BTP53POLBCASP6
SCHEMBL2858279 0.93 KDM4E (0.44) KDM4EPDE4BTP53SMPD1MAPT
SCHEMBL2856154 0.92 KDM4E (0.44) KDM4EPDE4BTP53SMPD1POLB
SCHEMBL2863757 0.89 KDM4E (0.49) KDM4EPDE4BPOLBMAPTTSHR
SCHEMBL2866511 0.89 KDM4E (0.48) KDM4EPDE4BTP53SMPD1POLB
SCHEMBL5491554 0.88 KDM4E (0.43) KDM4EPDE4BTP53SMPD1POLB
SCHEMBL2860150 0.88 KDM4E (0.46) KDM4EPDE4BPOLBRAB9ATSHR
SCHEMBL2865481 0.87 KDM4E (0.45) KDM4EPDE4BPOLBMAPTNPC1
SCHEMBL2861876 0.85 SLC5A7 (0.44) KDM4EPDE4BNPC1SMN1; SMN2TSHR
SCHEMBL2859390 0.85 KDM4E (0.44) KDM4EPDE4BTP53SMPD1POLB

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 6 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
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885PDE4B 4345/4885TP53 793/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885PDE4B 4345/4885TP53 793/4885

“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.