SCHEMBL2860147

SCHEMBL2860147

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
NFKB1 P19838 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
HSD17B2 P37059 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BLM P54132 1/20 0.41
POLB P06746 1/20 0.40
PDE4B Q07343 1/20 0.39
ALOX5 P09917 2/20 0.39

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
SCHEMBL2866304 0.93 KDM4E (0.47) KDM4ESLC22A6SLC22A8ALDH1A1GAA
SCHEMBL2869164 0.93 KDM4E (0.55) KDM4EALDH1A1GAATSHRMEN1
SCHEMBL2861686 0.91 KDM4E (0.47) KDM4ESLC22A6SLC22A8ALDH1A1GAA
SCHEMBL2862948 0.88 KDM4E (0.38) KDM4ESLC22A6SLC22A8ALDH1A1GAA
SCHEMBL2856371 0.87 KDM4E (0.45) KDM4EALDH1A1GAAHTTRAB9A
SCHEMBL2858272 0.87 KDM4E (0.47) KDM4ETSHRCYP1A2PDE4BCYP3A4
SCHEMBL2863752 0.87 KDM4E (0.52) KDM4EALDH1A1GAATSHRTDP1
SCHEMBL2861769 0.87 KDM4E (0.47) KDM4ETSHRCYP1A2PDE4BCYP3A4
SCHEMBL2859122 0.87 KDM4E (0.52) KDM4EALDH1A1TSHRTDP1MEN1
SCHEMBL2869018 0.87 KDM4E (0.41) KDM4EALDH1A1GAATSHRRAB9A

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 2968/4885SLC22A6 1282/4885SLC22A8 1843/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885SLC22A6 1282/4885SLC22A8 1843/4885

“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.