SCHEMBL2859968

SCHEMBL2859968

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PDE4B Q07343 1/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ACHE P22303 2/20 0.38
PDE4D Q08499 1/20 0.38
CYP2D6 P10635 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL2861686 0.93 KDM4E (0.47) KDM4EPDE4BCYP1A2CYP3A4ALDH1A1
SCHEMBL2866507 0.92 KDM4E (0.51) KDM4EPDE4BTSHRCYP1A2CYP3A4
SCHEMBL2859385 0.92 KDM4E (0.46) KDM4EPDE4BTSHRCYP1A2CYP3A4
SCHEMBL2861258 0.92 KDM4E (0.51) KDM4EPDE4BTSHRCYP1A2CYP3A4
SCHEMBL2856150 0.92 KDM4E (0.46) KDM4EPDE4BTSHRCYP1A2CYP3A4
SCHEMBL2857052 0.92 KDM4E (0.47) KDM4EPDE4BALDH1A1GAAPDE4D
SCHEMBL2857450 0.91 KDM4E (0.46) KDM4EPDE4BMAPK1ALDH1A1MEN1
SCHEMBL2869164 0.91 KDM4E (0.55) KDM4EPDE4BTSHRCYP1A2CYP3A4
SCHEMBL2858286 0.88 KDM4E (0.44) KDM4EPDE4BALDH1A1GAAMEN1
SCHEMBL2861716 0.88 KDM4E (0.45) KDM4EPDE4BALDH1A1MEN1KMT2A

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 4345/4885TSHR 1356/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885PDE4B 4345/4885TSHR 1356/4885

“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.