SCHEMBL2862030

SCHEMBL2862030

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MLYCD O95822 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LMNA P02545 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP2D6 P10635 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAOB P27338 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 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 0.91 TLR9 (0.37) ALDH1A1MLYCDTLR9TLR8TLR7
Hydrochloric Acid SCHEMBL2861699 0.90 ALDH1A1 (0.37) ALDH1A1MLYCDTLR9TLR8TLR7
SCHEMBL2858220 0.90 TLR9 (0.36) MLYCDTLR9TLR8TLR7PTGS2
SCHEMBL2866280 0.89 TLR9 (0.35) MLYCDTLR9TLR8TLR7SMN1; SMN2
SCHEMBL2858764 0.88 ESR1 (0.37) ALDH1A1TLR9TLR8TLR7LMNA
SCHEMBL2859698 0.86 ESR1 (0.37) ALDH1A1TLR9TLR8TLR7PTGS2
SCHEMBL2860094 0.85 SIGMAR1 (0.37) SMN1; SMN2CYP2D6HSP90AA1CYP3A4CYP2C19
SCHEMBL27655767 0.85 MAPT (0.36) ALDH1A1MLYCDTLR9TLR8TLR7
SCHEMBL2856124 0.85 HPGD (0.38) ALDH1A1PTGS2CYP2D6HSP90AA1CYP3A4
SCHEMBL2860096 0.85 HPGD (0.34) SMN1; SMN2PTGS2CYP2D6HSP90AA1CYP3A4

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 MCHR1 2414/4885PDK2 3925/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MCHR1 2414/4885PDK2 3925/4885ALDH1A1 2940/4885

“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.