SCHEMBL2858352

SCHEMBL2858352

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FLT3 P36888 1/20 0.33
GAA P10253 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
SCHEMBL2871399 0.90 KDM4E (0.39) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL2856371 0.89 KDM4E (0.45) KDM4EALDH1A1POLBMAPTNPC1
SCHEMBL2864846 0.89 MAPT (0.46) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL2869018 0.86 KDM4E (0.41) KDM4EALDH1A1POLBMAPTNPC1
SCHEMBL2857171 0.86 ALDH1A1 (0.36) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL2859707 0.82 ALDH1A1 (0.35) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL2869164 0.81 KDM4E (0.55) KMT2AKDM4EALDH1A1GAATSHR
SCHEMBL2856163 0.81 KDM4E (0.38) KMT2AKDM4EPOLBMAPTNPC1
SCHEMBL2862948 0.80 KDM4E (0.38) KDM4EALDH1A1POLBMAPTNPC1
SCHEMBL2860147 0.80 KDM4E (0.48) KMT2AKDM4EALDH1A1POLBRAB9A

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 KMT2A 3681/4885KDM4E 2968/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KMT2A 3681/4885KDM4E 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.