SCHEMBL4116597

SCHEMBL4116597

CCC(O)C1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.56
SOAT1 P35610 12/20 0.49
S100A4 P26447 4/20 0.49
IDO1 P14902 2/20 0.48
CDC25A P30304 2/20 0.48
CDC25B P30305 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
PLIN1 O60240 1/20 0.48
NR1I2 O75469 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GSR P00390 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL25954041 0.85 IDO1 (0.52) CTDSP1SOAT1S100A4IDO1CDC25A
Ammonia Solution, Strong SCHEMBL28570579 0.84 SOAT1 (0.50) CTDSP1SOAT1S100A4IDO1CDC25A
SCHEMBL9628284 0.80 PTPN1 (0.52) CTDSP1SOAT1S100A4IDO1CDC25A
SCHEMBL5817375 0.79 PTPN1 (0.55) CTDSP1SOAT1S100A4IDO1CDC25A
Ammonia Solution, Strong SCHEMBL28549609 0.79 PTPN1 (0.50) CTDSP1SOAT1S100A4IDO1CDC25A
Ammonia Solution, Strong SCHEMBL28549189 0.78 SOAT1 (0.46) CTDSP1SOAT1S100A4IDO1CDC25A
Ammonia Solution, Strong SCHEMBL28553897 0.77 SOAT1 (0.49) CTDSP1SOAT1S100A4IDO1CDC25A
SCHEMBL10446586 0.76 SOAT1 (0.50) CTDSP1SOAT1S100A4IDO1CDC25A
SCHEMBL30038980 0.75 PTPN1 (0.70) CTDSP1SOAT1S100A4IDO1CDC25A
SCHEMBL9627646 0.75 PTPN1 (0.70) CTDSP1SOAT1S100A4IDO1CDC25A

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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 US disclosed
EP-2010481-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS Fluofarma (FR) 2009-01-07 EP disclosed
WO-2007125196-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2007-11-08 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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 CTDSP1 815/4885SOAT1 2643/4885S100A4 2146/4885

“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.