SCHEMBL2856154

SCHEMBL2856154

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.41
PDE4B Q07343 2/20 0.40
SMPD1 P17405 5/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2866511 0.96 KDM4E (0.48) KDM4ETP53PDE4BSMPD1NPC1
SCHEMBL5491554 0.96 KDM4E (0.43) KDM4ETP53PDE4BSMPD1NPC1
SCHEMBL2859390 0.93 KDM4E (0.44) KDM4ETP53PDE4BSMPD1NPC1
SCHEMBL2861776 0.92 KDM4E (0.44) KDM4ETP53PDE4BSMPD1NPC1
SCHEMBL2861264 0.90 KDM4E (0.48) KDM4EPDE4BSMPD1NPC1RAB9A
SCHEMBL2859124 0.89 KDM4E (0.49) KDM4ETP53PDE4BNPC1RAB9A
SCHEMBL2861694 0.88 KDM4E (0.45) KDM4EPDE4BNPC1RAB9APOLB
SCHEMBL2857059 0.87 KDM4E (0.44) KDM4EPDE4BNPC1RAB9APOLB
SCHEMBL2857454 0.86 KDM4E (0.43) KDM4EPDE4BNPC1RAB9APOLB
SCHEMBL2858804 0.86 SLC5A7 (0.45) KDM4ENPC1RAB9ASMN1; SMN2CYP2C9

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 2968/4885TP53 793/4885PDE4B 4345/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885TP53 793/4885PDE4B 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.