SCHEMBL13312447

SCHEMBL13312447

COC(=O)CC(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.58
ALDH1A1 P00352 10/20 0.58
MAPT P10636 6/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
L3MBTL1 Q9Y468 6/20 0.58
KMT2A Q03164 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 3/20 0.57
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
LMNA P02545 5/20 0.56

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
Hydrochloric Acid SCHEMBL8410814 0.84 ALDH1A1 (0.59) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL11741667 0.83 MAPT (0.65) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL6206191 0.81 ALDH1A1 (0.69) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL5545792 0.81 ALDH1A1 (0.63) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL2092774 0.80 ALDH1A1 (0.57) SOAT1ALDH1A1MAPTKDM4ECYP2C9
SCHEMBL12879817 0.79 KMT2A (0.69) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL26646514 0.79 SOAT1 (0.78) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL789303 0.78 MAPT (0.62) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL28701426 0.78 MAPT (0.67) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL3172180 0.78 HTT (0.62) SOAT1ALDH1A1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
WO-2008030455-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-13 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 (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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 SOAT1 1771/4885ALDH1A1 4793/4885MAPT 3558/4885

“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.