SCHEMBL2869149

SCHEMBL2869149

CCc1c(O)cc(O)c(C(=O)c2ccc(F)cc2)c1CC(=O)N(CCO)CCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NAMPT P43490 1/20 0.34
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2854718 0.93 POLB (0.42) POLBAPEX1TDP1CNR2KDM4E
SCHEMBL2864982 0.92 MLYCD (0.36) MLYCDPOLBTDP1KDM4EALDH1A1
SCHEMBL2863057 0.91 MLYCD (0.36) MLYCDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2858220 0.90 TLR9 (0.36) MLYCDCNR2HPGDTLR9TLR8
SCHEMBL2856108 0.90 ALDH1A1 (0.35) MLYCDPOLBKDM4EHSD17B10ALDH1A1
SCHEMBL2854729 0.89 MLYCD (0.40) MLYCDKDM4EALDH1A1HPGDTLR9
SCHEMBL2862377 0.89 ALDH1A1 (0.41) MLYCDPOLBKDM4EHSD17B10ALDH1A1
SCHEMBL2860203 0.88 MLYCD (0.34) MLYCDTLR9TLR8TLR7TSHR
SCHEMBL2859151 0.88 MLYCD (0.39) MLYCDTLR9TLR8TLR7
SCHEMBL2861690 0.88 LMNA (0.35) MLYCDPOLBTLR9TLR8TLR7

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 9 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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN 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
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 MLYCD 3647/4885POLB 4195/4885APEX1 3012/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MLYCD 3647/4885POLB 4195/4885APEX1 3012/4885

“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.