SCHEMBL2863087

SCHEMBL2863087

C=CCOc1cc(OCC=C)c(C(=O)c2ccsc2)c(CC(=O)OC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
LIG1 P18858 1/20 0.31
LMNA P02545 2/20 0.31
PDE4B Q07343 1/20 0.31
FLT3 P36888 1/20 0.31
NPC1 O15118 2/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 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
SCHEMBL2859038 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDLIG1LMNA
SCHEMBL2861144 0.84 KDM4E (0.42) KDM4EMAPTALDH1A1LIG1PDE4B
SCHEMBL2858286 0.83 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL2866517 0.83 KDM4E (0.41) KDM4EMAPTALDH1A1LIG1PDE4B
SCHEMBL2859968 0.82 KDM4E (0.54) KDM4EALDH1A1LMNAPDE4BTSHR
SCHEMBL2858300 0.82 MAPT (0.47) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL2861686 0.82 KDM4E (0.47) KDM4EALDH1A1PDE4BPOLBRAB9A
SCHEMBL2856153 0.82 KDM4E (0.38) KDM4EMAPTALDH1A1HPGDLIG1
SCHEMBL2866354 0.82 KDM4E (0.38) KDM4EMAPTALDH1A1HPGDLIG1
SCHEMBL4166732 0.81 KDM4E (0.34) KDM4EMAPTALDH1A1HPGD

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 2968/4885MAPT 1791/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885MAPT 1791/4885ALDH1A1 2940/4885

“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.