SCHEMBL2861258

SCHEMBL2861258

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMPD1 P17405 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL2859385 0.96 KDM4E (0.46) KDM4EPDE4BTSHRCYP1A2CYP3A4
SCHEMBL2866507 0.93 KDM4E (0.51) KDM4EPDE4BALDH1A1CYP2D6MAPT
SCHEMBL2859968 0.92 KDM4E (0.54) KDM4EPDE4BALDH1A1CYP2D6TSHR
SCHEMBL2863752 0.92 KDM4E (0.52) KDM4EPDE4BALDH1A1CYP2D6MAPT
SCHEMBL2856150 0.89 KDM4E (0.46) KDM4EPDE4BTSHRCYP1A2CYP3A4
SCHEMBL2861716 0.89 KDM4E (0.45) KDM4EPDE4BALDH1A1CYP2D6MAPT
SCHEMBL2858272 0.88 KDM4E (0.47) KDM4EPDE4BMAPTTSHRCYP1A2
SCHEMBL2861686 0.88 KDM4E (0.47) KDM4EPDE4BALDH1A1CYP1A2CYP3A4
SCHEMBL2857052 0.87 KDM4E (0.47) KDM4EPDE4BALDH1A1MAPTGAA
SCHEMBL2858197 0.86 KDM4E (0.46) KDM4EPDE4BALDH1A1CYP2D6MAPT

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 2968/4885PDE4B 4345/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885PDE4B 4345/4885ALDH1A1 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.