SCHEMBL2861694

SCHEMBL2861694

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(O)c(OC)c2)c(C(CC)C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
HSD17B2 P37059 1/20 0.41
POLB P06746 2/20 0.40
PTPN1 P18031 2/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BLM P54132 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IARS1 P41252 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2857059 0.93 KDM4E (0.44) KDM4ESLC22A6SLC22A8HSD17B2POLB
SCHEMBL2860150 0.91 KDM4E (0.46) KDM4ESLC22A6SLC22A8HSD17B2POLB
SCHEMBL2866300 0.90 KDM4E (0.38) KDM4EHSD17B2POLBPTPN1CYP1A2
SCHEMBL2858288 0.89 FLT3 (0.43) KDM4EPOLBPTPN1HSP90AA1RAB9A
SCHEMBL2861148 0.89 KDM4E (0.40) KDM4EPOLBPTPN1RAB9ANPC1
SCHEMBL2857454 0.89 KDM4E (0.43) KDM4EPOLBPTPN1RAB9ANPC1
SCHEMBL2866511 0.88 KDM4E (0.48) KDM4EPOLBRAB9ANPC1MAPT
SCHEMBL2861264 0.88 KDM4E (0.48) KDM4EPOLBRAB9ANPC1MAPT
SCHEMBL2859390 0.88 KDM4E (0.44) KDM4EPOLBCYP1A2RAB9AHDAC6
SCHEMBL2856154 0.88 KDM4E (0.44) KDM4EPOLBCYP1A2RAB9AHDAC6

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 2968/4885SLC22A6 1282/4885SLC22A8 1843/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885SLC22A6 1282/4885SLC22A8 1843/4885

“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.