SCHEMBL2866468

SCHEMBL2866468

C=CCOc1cc(OCC=C)c(C(=O)c2cccc(SC)c2)c(CC(=O)O)c1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 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
SCHEMBL2864979 0.90 KDM4E (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2869152 0.87 KDM4E (0.37) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2857250 0.83 ALDH1A1 (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2869018 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2869164 0.81 KDM4E (0.55) KDM4EALDH1A1GAATSHRMEN1
SCHEMBL2862948 0.80 KDM4E (0.38) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2860147 0.80 KDM4E (0.48) KDM4EALDH1A1RAB9AGAAHSP90AA1
SCHEMBL2864846 0.79 MAPT (0.46) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2856371 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2866304 0.79 KDM4E (0.47) KDM4EALDH1A1GAATSHRMAPT

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 2968/4885ALDH1A1 2940/4885HPGD 3193/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885ALDH1A1 2940/4885HPGD 3193/4885

“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.