SCHEMBL3392208

SCHEMBL3392208

COc1c(C)ncc(CO)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GFER P55789 1/20 0.45
LMNA P02545 3/20 0.43
PDXK O00764 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
AOX1 Q06278 1/20 0.42
HSP90AB1 P08238 2/20 0.42
HSP90AA1 P07900 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
DPP4 P27487 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL30649291 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL1730839 0.83 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL4276650 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL3395256 0.81 HSP90AB1 (0.42) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL3797317 0.81 HSP90AB1 (0.45) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL3393909 0.81 LMNA (0.44) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL12362198 0.79 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL14469765 0.79 LMNA (0.63) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL31992 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL23426266 0.78 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GFER

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO 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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 KDM4E 3577/4885ALDH1A1 827/4885HPGD 141/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 KDM4E 3577/4885ALDH1A1 827/4885HPGD 141/4885

“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.