SCHEMBL2869018

SCHEMBL2869018

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(O)cc2)c(CC(=O)O)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
SLC22A12 Q96S37 8/20 0.38
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.35
EYA3 Q99504 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
PDE4B Q07343 1/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARD Q03181 1/20 0.32
SLC5A1 P13866 1/20 0.32

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
SCHEMBL2864846 0.89 MAPT (0.46) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL2861144 0.89 KDM4E (0.42) KDM4ESLC22A12GAAALDH1A1EYA3
SCHEMBL2856371 0.89 KDM4E (0.45) KDM4EGAAALDH1A1NPC1RAB9A
SCHEMBL2869152 0.88 KDM4E (0.37) KDM4EGAATSHRALDH1A1NPC1
SCHEMBL2862948 0.87 KDM4E (0.38) KDM4ESLC22A12GAATSHRALDH1A1
SCHEMBL2860147 0.87 KDM4E (0.48) KDM4EGAATSHRALDH1A1RAB9A
SCHEMBL2866304 0.86 KDM4E (0.47) KDM4EGAATSHRALDH1A1MAPT
SCHEMBL2858352 0.86 KMT2A (0.39) KDM4EGAATSHRALDH1A1NPC1
SCHEMBL2869164 0.86 KDM4E (0.55) KDM4EGAATSHRALDH1A1PDE4B
SCHEMBL2858164 0.82 KDM4E (0.46) KDM4EGAATSHRALDH1A1MAPT

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 2968/4885SLC22A12 1461/4885GAA 1593/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885SLC22A12 1461/4885GAA 1593/4885

“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.