SCHEMBL2863148

SCHEMBL2863148

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.34
PDE4B Q07343 1/20 0.34
POLB P06746 2/20 0.33
CASP6 P55212 1/20 0.33
TP53 P04637 1/20 0.32
SMPD1 P17405 2/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL2863717 0.98 KDM4E (0.40) KDM4ELMNAPDE4BPOLBCASP6
SCHEMBL2865268 0.95 KDM4E (0.45) KDM4EPDE4BTP53SMPD1ALDH1A1
SCHEMBL2868855 0.95 KDM4E (0.41) KDM4EPDE4BTP53SMPD1ALDH1A1
SCHEMBL2865029 0.92 KDM4E (0.45) KDM4EPDE4BTP53ALDH1A1CYP2D6
SCHEMBL2858197 0.90 KDM4E (0.46) KDM4EPDE4BTP53SMPD1ALDH1A1
SCHEMBL2857247 0.88 KDM4E (0.40) KDM4EPDE4BPOLBALDH1A1KMT2A
SCHEMBL2854406 0.87 KDM4E (0.39) KDM4EPDE4BTP53ALDH1A1TDP1
SCHEMBL5495751 0.87 KDM4E (0.35) KDM4EPOLBTLR9TLR8TLR7
SCHEMBL2858164 0.86 KDM4E (0.46) KDM4ELMNAPDE4BPOLBCASP6
SCHEMBL2861239 0.86 KDM4E (0.42) KDM4EPDE4BALDH1A1TLR9TLR8

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 2968/4885LMNA 4283/4885PDE4B 4345/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885LMNA 4283/4885PDE4B 4345/4885

“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.