SCHEMBL2857252

SCHEMBL2857252

C=CCOc1cc(CC(=O)OC)cc(OCC=C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.50
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
FFAR1 O14842 1/20 0.39
FLT3 P36888 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 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
SCHEMBL4655046 0.85 KDM4E (0.54) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL7038941 0.84 ALDH1A1 (0.52) NPC1RAB9ACYP4F2CYP4A11SMN1; SMN2
SCHEMBL2855872 0.78 HSP90AB1 (0.55) HSP90AB1NPC1RAB9AKDM4ECYP4F2
SCHEMBL348963 0.77 HSP90AB1 (0.62) HSP90AB1KDM4ECYP4F2CYP4A11SMN1; SMN2
SCHEMBL20395893 0.77 MAPT (0.44) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL14626264 0.75 HSP90AB1 (0.51) HSP90AB1NPC1RAB9AKDM4ECYP4F2
Hydrogen Sulfide SCHEMBL20395882 0.75 MAPT (0.43) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL2866299 0.75 FLT3 (0.39) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL2862910 0.75 FLT3 (0.41) CNR1CNR2NPC1RAB9AKDM4E
SCHEMBL7594747 0.74 ALDH1A1 (0.43) CNR1CNR2NPC1RAB9AKDM4E

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 HSP90AB1 1/4885CNR1 1349/4885CNR2 2984/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P HSP90AB1 1/4885CNR1 1349/4885CNR2 2984/4885

“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.