SCHEMBL2859486

SCHEMBL2859486

CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1CC(=O)N1CCC(CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR3 P29371 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SPR P35270 2/20 0.37
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BLM P54132 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL2862037 0.88 SMN1; SMN2 (0.41) ALDH1A1RAB9AMAPTKMT2ATP53
SCHEMBL2861975 0.86 CYP1A2 (0.36) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL2869162 0.78 ME2 (0.53) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL2860175 0.77 GRM3 (0.52) ALDH1A1RAB9AKDM4EMAPTKMT2A
SCHEMBL2862917 0.76 HPGD (0.40) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL15225754 0.75 MAPK1 (0.50) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL2868820 0.75 SMN1; SMN2 (0.47) ALDH1A1RAB9AMAPTKMT2AL3MBTL1
SCHEMBL2866216 0.74 SMN1; SMN2 (0.40) ALDH1A1RAB9AMAPTKMT2A
SCHEMBL2866292 0.73 GRM3 (0.42) ALDH1A1RAB9AKDM4E
SCHEMBL2854657 0.73 ALDH1A1 (0.44) ALDH1A1KMT2A

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 7 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 claimed
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 ALDH1A1 2940/4885RAB9A 1598/4885KDM4E 2968/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885RAB9A 1598/4885KDM4E 2968/4885

“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.