SCHEMBL2856153

SCHEMBL2856153

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
CA9 Q16790 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
MAP1LC3A Q9H492 1/20 0.33
LIG1 P18858 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL2869152 0.90 KDM4E (0.37) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2859038 0.89 KDM4E (0.40) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2857228 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2861144 0.89 KDM4E (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2864979 0.87 KDM4E (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2858217 0.86 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2861686 0.86 KDM4E (0.47) KDM4EALDH1A1RAB9AHSP90AA1HTT
SCHEMBL2857052 0.85 KDM4E (0.47) KDM4EALDH1A1GAAMAPTPDE4B
SCHEMBL2866296 0.85 KDM4E (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2859968 0.84 KDM4E (0.54) KDM4EALDH1A1GAACA9PDE4B

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.