SCHEMBL2859698

SCHEMBL2859698

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N(CCCOC)CCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
MLNR O43193 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
UTS2R Q9UKP6 5/20 0.36
SLC22A12 Q96S37 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.34
PTGS2 P35354 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) TLR9TLR8TLR7ALDH1A1UTS2R
Hydrochloric Acid SCHEMBL2861699 0.93 ALDH1A1 (0.37) TLR9TLR8TLR7ALDH1A1UTS2R
SCHEMBL2858764 0.93 ESR1 (0.37) ESR1TLR9TLR8TLR7ALDH1A1
SCHEMBL2860096 0.91 HPGD (0.34) SLC22A12HPGDGAAPTGS2
SCHEMBL2868859 0.89 TLR9 (0.45) MLNRTLR9TLR8TLR7ALDH1A1
SCHEMBL2866280 0.88 TLR9 (0.35) TLR9TLR8TLR7SLC22A12HPGD
SCHEMBL27655787 0.86 MAPT (0.35) SLC22A12HPGDGAA
SCHEMBL2862030 0.86 MCHR1 (0.38) TLR9TLR8TLR7ALDH1A1PTGS2
SCHEMBL2858220 0.85 TLR9 (0.36) TLR9TLR8TLR7SLC22A12HPGD
SCHEMBL2857173 0.84 HSP90AA1 (0.35) ALDH1A1SLC22A12HPGDGAAPTGS2

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 ESR1 1491/4885MLNR 468/4885TLR9 3438/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ESR1 1491/4885MLNR 468/4885TLR9 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.