SCHEMBL30440002

SCHEMBL30440002

CCCCCCc1ccc2nccc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
RARB P10826 3/20 0.42
TLR8 Q9NR97 1/20 0.41
PIK3CA P42336 5/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
PSMB5 P28074 1/20 0.38
PSMD14 O00487 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL30439992 1.00 DHODH (0.45) DHODHRARBTLR8PIK3CAMAPT
SCHEMBL30439819 1.00 DHODH (0.45) DHODHRARBTLR8PIK3CAMAPT
SCHEMBL30439657 1.00 DHODH (0.45) DHODHRARBTLR8PIK3CAMAPT
SCHEMBL30439822 0.99 DHODH (0.43) DHODHRARBTLR8PIK3CAPSMB5
SCHEMBL29903825 0.95 PSMB5 (0.42) DHODHTLR8PIK3CAPSMB5
SCHEMBL30439659 0.87 PIK3CA (0.50) TLR8PIK3CAPSMB5
SCHEMBL29903858 0.87 PSMB5 (0.51) TLR8PIK3CAPSMB5
SCHEMBL29903866 0.87 PSMB5 (0.51) TLR8PIK3CAPSMB5
SCHEMBL29903844 0.87 PSMB5 (0.51) TLR8PIK3CAPSMB5
SCHEMBL30440201 0.86 PSMB5 (0.52) TLR8PIK3CAPSMB5

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 DHODH 1908/4885RARB 160/4885TLR8 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.