SCHEMBL2861836

SCHEMBL2861836

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)c(OC)c2)c1CC(=O)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
TLR9 Q9NR96 4/20 0.44
TLR7 Q9NYK1 4/20 0.44
TLR8 Q9NR97 3/20 0.44
PDE4D Q08499 2/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2867310 0.90 KDM4E (0.44) ALDH1A1KDM4EKMT2AMEN1L3MBTL3
SCHEMBL2868791 0.83 HTT (0.42) HTTALDH1A1KDM4ETLR9TLR7
SCHEMBL2864929 0.80 MEN1 (0.52) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2866392 0.80 FKBP1A (0.50) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2864939 0.79 SMN1; SMN2 (0.39) ALDH1A1KDM4ETLR9TLR7TLR8
SCHEMBL2863769 0.77 ABCB1 (0.47) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2868820 0.77 SMN1; SMN2 (0.47) ALDH1A1TLR7TLR8HPGDSMN1; SMN2
SCHEMBL2859112 0.75 TSHR (0.51) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2858179 0.74 CHRM2 (0.42) ALDH1A1KDM4EKMT2AMEN1L3MBTL3
SCHEMBL2860161 0.74 CYP1A2 (0.50) ALDH1A1PDE4DHPGDSMN1; SMN2KMT2A

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 HTT 644/4885ALDH1A1 2940/4885KDM4E 2968/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P HTT 644/4885ALDH1A1 2940/4885KDM4E 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.