SCHEMBL30440201

SCHEMBL30440201

CCCCCc1ccc2nccc(-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.52
PIK3CA P42336 3/20 0.51
TLR8 Q9NR97 1/20 0.46
HSD11B1 P28845 2/20 0.45
MAPKAPK2 P49137 2/20 0.43
GPR3 P46089 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
AKT1 P31749 1/20 0.39
SOAT1 P35610 1/20 0.39
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38

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
SCHEMBL29903866 0.99 PSMB5 (0.51) PSMB5PIK3CATLR8HSD11B1MAPKAPK2
SCHEMBL29903858 0.99 PSMB5 (0.51) PSMB5PIK3CATLR8HSD11B1MAPKAPK2
SCHEMBL29903844 0.99 PSMB5 (0.51) PSMB5PIK3CATLR8HSD11B1MAPKAPK2
SCHEMBL30440085 0.96 PSMB5 (0.56) PSMB5PIK3CATLR8HSD11B1MAPKAPK2
SCHEMBL30439681 0.90 PIK3CA (0.55) PSMB5PIK3CATLR8MAPKAPK2AKT1
SCHEMBL30439659 0.88 PIK3CA (0.50) PSMB5PIK3CATLR8AKT1
SCHEMBL29903869 0.88 PSMB5 (0.48) PSMB5PIK3CATLR8HSD11B1GPR3
SCHEMBL30439822 0.87 DHODH (0.43) PSMB5PIK3CATLR8AKT1
SCHEMBL30440002 0.86 DHODH (0.45) PSMB5PIK3CATLR8
SCHEMBL30439475 0.84 PIK3CA (0.57) PSMB5PIK3CAMAPKAPK2AKT1

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-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2023-06-15 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-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF FABP4, FABP1, FABP3 PSMB5 4189/4885PIK3CA 3770/4885TLR8 2614/4885

“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.