SCHEMBL16226853

SCHEMBL16226853

CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O)cc1C2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.74
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
MAPK1 P28482 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
FTO Q9C0B1 2/20 0.55
ALOX15 P16050 2/20 0.55
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPC1 O15118 1/20 0.55
PTP4A3 O75365 1/20 0.55
GMNN O75496 1/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL16226101 0.93 ELANE (0.68) ELANEALDH1A1MAPTMEN1MAPK1
Emodin Triacetate SCHEMBL4055898 0.85 ELANE (1.00) ELANEALDH1A1MAPTMEN1MAPK1
SCHEMBL16226349 0.83 ELANE (0.60) ELANEALDH1A1MAPTMEN1MAPK1
SCHEMBL14003223 0.82 TTR (0.71) ELANEALDH1A1MAPTMEN1MAPK1
SCHEMBL23198990 0.82 ALDH1A1 (0.71) ELANEALDH1A1MAPTMEN1MAPK1
SCHEMBL26187355 0.82 ELANE (0.69) ELANEALDH1A1MAPTMEN1MAPK1
SCHEMBL16226520 0.79 ELANE (0.54) ELANEALDH1A1MAPTMEN1MAPK1
1-O-Methylemodin SCHEMBL16225819 0.76 ELANE (0.73) ELANEALDH1A1MAPTMEN1MAPK1
Questin SCHEMBL29359576 0.76 ELANE (0.73) ELANEALDH1A1MAPTMEN1MAPK1
Questin SCHEMBL15676283 0.76 ELANE (0.73) ELANEALDH1A1MAPTMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US 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 (1 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ELANE 2550/4885ALDH1A1 1004/4885MAPT 3619/4885

“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.