SCHEMBL2858764

SCHEMBL2858764

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 2/20 0.36
UTS2R Q9UKP6 4/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2869153 0.94 TLR9 (0.37) ALDH1A1UTS2RTLR9TLR8TLR7
Hydrochloric Acid SCHEMBL2861699 0.93 ALDH1A1 (0.37) ALDH1A1UTS2RTLR9TLR8TLR7
SCHEMBL2859698 0.93 ESR1 (0.37) ESR1ALDH1A1UTS2RTLR9TLR8
SCHEMBL2866280 0.91 TLR9 (0.35) TLR9TLR8TLR7SLC22A12GAA
SCHEMBL2858220 0.89 TLR9 (0.36) TLR9TLR8TLR7SLC22A12GAA
SCHEMBL2859333 0.89 TLR9 (0.43) ALDH1A1TLR9TLR8TLR7TSHR
SCHEMBL2862030 0.88 MCHR1 (0.38) ALDH1A1TLR9TLR8TLR7SMN1; SMN2
SCHEMBL2860096 0.88 HPGD (0.34) SLC22A12GAAHPGDSMN1; SMN2
SCHEMBL2860094 0.86 SIGMAR1 (0.37) UTS2RSLC22A12TSHRGAAHPGD
SCHEMBL2857173 0.84 HSP90AA1 (0.35) ALDH1A1SLC22A12GAAHPGD

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 ESR1 1491/4885ALDH1A1 2940/4885UTS2R 3104/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ESR1 1491/4885ALDH1A1 2940/4885UTS2R 3104/4885

“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.