SCHEMBL2861718

SCHEMBL2861718

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.35
PARP10 Q53GL7 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MLYCD O95822 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 4/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
MCL1 Q07820 1/20 0.31
MBTPS1 Q14703 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL2860086 0.94 PARP10 (0.39) TSPOPARP10KMT2AMAPTNPSR1
SCHEMBL2861690 0.92 LMNA (0.35) TLR9TLR8TLR7MLYCDKMT2A
SCHEMBL2858220 0.91 TLR9 (0.36) TLR9TLR8TLR7MLYCDMAPT
SCHEMBL2862377 0.90 ALDH1A1 (0.41) PARP10MLYCDKMT2AMAPTNPSR1
SCHEMBL2864982 0.88 MLYCD (0.36) TLR9TLR8TLR7MLYCDKMT2A
SCHEMBL27833611 0.87 PARP10 (0.36) TSPOPARP10TLR9TLR8TLR7
SCHEMBL2869149 0.87 MLYCD (0.37) TSPOTLR9TLR8TLR7MLYCD
SCHEMBL2856108 0.86 ALDH1A1 (0.35) TLR9TLR8TLR7MLYCDMAPT
SCHEMBL2859151 0.86 MLYCD (0.39) TLR9TLR8TLR7MLYCD
SCHEMBL2854641 0.85 LMNA (0.36) KMT2AMAPTALDH1A1KDM4EHSD17B10

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 TSPO 526/4885PARP10 2170/4885TLR9 3438/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TSPO 526/4885PARP10 2170/4885TLR9 3438/4885

“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.