SCHEMBL2861144

SCHEMBL2861144

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(O)cc2)c(CC(=O)OC)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
SLC22A12 Q96S37 7/20 0.39
MGAM O43451 4/20 0.35
GAA P10253 4/20 0.35
SI P14410 4/20 0.35
MGAM2 Q2M2H8 4/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EYA3 Q99504 1/20 0.33
PTPN1 P18031 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
LIG1 P18858 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
SCHEMBL2858286 0.90 KDM4E (0.44) KDM4EGAANPC1POLBMAPT
SCHEMBL2866517 0.90 KDM4E (0.41) KDM4EGAANPC1POLBMAPT
SCHEMBL2859038 0.90 KDM4E (0.40) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL2858300 0.89 MAPT (0.47) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2869018 0.89 KDM4E (0.41) KDM4ESLC22A12MGAMGAASI
SCHEMBL2856153 0.89 KDM4E (0.38) KDM4EGAANPC1POLBMAPT
SCHEMBL2861686 0.89 KDM4E (0.47) KDM4EGAAPOLBRAB9APDE4B
SCHEMBL2857052 0.88 KDM4E (0.47) KDM4ESLC22A12GAAMAPTPDE4B
SCHEMBL2866296 0.88 KDM4E (0.39) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2859968 0.87 KDM4E (0.54) KDM4EGAAPDE4BALDH1A1

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 2968/4885SLC22A12 1461/4885MGAM 4188/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885SLC22A12 1461/4885MGAM 4188/4885

“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.