SCHEMBL4103689

SCHEMBL4103689

CCC(=O)C1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 7/20 0.50
LMNA P02545 6/20 0.50
KDM4E B2RXH2 5/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
APAF1 O14727 1/20 0.50
MITF O75030 1/20 0.50
CDC25B P30305 5/20 0.49
S100A4 P26447 5/20 0.49
CDC25A P30304 4/20 0.49
MAP2K7 O14733 2/20 0.49
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL30583758 0.79 HSP90AA1 (0.59) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2901813 0.79 FGFR1 (0.58) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL27460293 0.79 HSP90AA1 (0.59) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL17969798 0.77 HSP90AA1 (0.68) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL7098579 0.74 ALDH1A1 (0.62) ALDH1A1MAPTLMNAKDM4EHTT
Anthraquinone SCHEMBL28258160 0.73 MAPT (0.60) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL29941466 0.72 CDC25B (0.68) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL571026 0.72 CDC25B (0.68) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL13442857 0.72 APEX1 (0.47) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL12761941 0.71 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EHTT

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-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

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 ALDH1A1 709/4885MAPT 3602/4885LMNA 173/4885

“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.