SCHEMBL2863752

SCHEMBL2863752

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
PPARA Q07869 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4B Q07343 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL2858272 0.96 KDM4E (0.47) KDM4EPPARAMAPTTSHRPDE4B
SCHEMBL2859122 0.93 KDM4E (0.52) KDM4EPPARAMAPTTSHRMEN1
SCHEMBL2869164 0.92 KDM4E (0.55) KDM4ETSHRMEN1KMT2APDE4B
SCHEMBL2861258 0.92 KDM4E (0.51) KDM4EPPARAMAPTTSHRMEN1
SCHEMBL2861769 0.89 KDM4E (0.47) KDM4EPPARAMAPTTSHRPDE4B
SCHEMBL2858164 0.89 KDM4E (0.46) KDM4EPPARAMAPTTSHRMEN1
SCHEMBL2859385 0.88 KDM4E (0.46) KDM4ETSHRPDE4BCYP1A2CYP3A4
SCHEMBL2860147 0.87 KDM4E (0.48) KDM4ETSHRMEN1KMT2APDE4B
SCHEMBL2858197 0.87 KDM4E (0.46) KDM4EMAPTTSHRPDE4BALDH1A1
SCHEMBL2866304 0.86 KDM4E (0.47) KDM4EMAPTTSHRPDE4BALDH1A1

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 2968/4885PPARA 3794/4885MAPT 1791/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885PPARA 3794/4885MAPT 1791/4885

“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.