SCHEMBL2854655

SCHEMBL2854655

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)cc2)c(CCOCCO)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 2/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.34
NPC1 O15118 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL2863217 0.92 FLT3 (0.42) FLT3KDM4EALDH1A1ALOX15LMNA
SCHEMBL2858319 0.89 ALDH1A1 (0.36) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL2862394 0.89 KDM4E (0.34) FLT3KDM4EALOX15PTPN1PKM
SCHEMBL2866494 0.88 KDM4E (0.43) FLT3KDM4EALDH1A1PTPN1TUBB4A
SCHEMBL4166732 0.83 KDM4E (0.34) KDM4EALDH1A1HPGDMAPT
SCHEMBL2862382 0.83 KDM4E (0.34) KDM4EALDH1A1HPGDMAPT
SCHEMBL2856371 0.83 KDM4E (0.45) FLT3KDM4EALDH1A1ALOX15LMNA
SCHEMBL2858286 0.82 KDM4E (0.44) FLT3KDM4EALDH1A1ALOX15LMNA
SCHEMBL2859496 0.81 KDM4E (0.35) KDM4EALDH1A1ALOX15LMNANPSR1
SCHEMBL2868754 0.77 NFKB1 (0.40) ALDH1A1ALOX15LMNANPSR1GAA

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 FLT3 1075/4885KDM4E 2968/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P FLT3 1075/4885KDM4E 2968/4885ALDH1A1 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.