SCHEMBL1850159

SCHEMBL1850159

CCOC(=O)c1cccc(-c2cccc3cc(Cc4cccc(CO)c4)sc23)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.54
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
PRKDC P78527 1/20 0.39

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
SCHEMBL3219547 0.90 GPR52 (0.54) GPR52CYP4F2CYP4A11NPC1ALDH1A1
SCHEMBL1850570 0.90 GPR52 (0.69) GPR52NPC1RAB9A
SCHEMBL1848922 0.88 GPR52 (0.46) GPR52CYP4F2CYP4A11TP53POLB
SCHEMBL1848571 0.87 GPR52 (0.52) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1848119 0.87 GPR52 (0.71) GPR52ALDH1A1MAPTHPGDS1PR4
SCHEMBL3218930 0.87 GPR52 (0.51) GPR52CYP4F2CYP4A11NPC1ALDH1A1
SCHEMBL1851248 0.87 GPR52 (0.51) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1850789 0.86 GPR52 (0.53) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1855603 0.86 GPR52 (0.51) GPR52CYP4F2CYP4A11NPC1ALDH1A1
SCHEMBL1854584 0.85 GPR52 (0.48) GPR52NPC1ALDH1A1MAPTRAB9A

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885CYP4F2 1369/4885CYP4A11 1002/4885

“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.