SCHEMBL4110933

SCHEMBL4110933

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 8/20 0.49
CDC25A P30304 6/20 0.49
S100A4 P26447 5/20 0.49
MAP2K7 O14733 4/20 0.49
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
APAF1 O14727 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 3/20 0.42
ELANE P08246 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL1671378 0.84 CDC25B (0.44) CDC25BCDC25AS100A4MAP2K7AURKA
SCHEMBL5822470 0.79 CDC25B (0.50) CDC25BCDC25AS100A4MAP2K7AURKA
SCHEMBL12761943 0.76 AURKA (0.48) CDC25BCDC25AS100A4MAP2K7AURKA
SCHEMBL10446607 0.74 CDC25B (0.49) CDC25BCDC25AS100A4MAP2K7AURKA
SCHEMBL15520817 0.74 CDC25B (0.36) CDC25BCDC25AS100A4MAP2K7AURKA
SCHEMBL22874151 0.74 CDC25B (0.54) CDC25BCDC25AS100A4MAP2K7AURKA
SCHEMBL29941466 0.72 CDC25B (0.68) CDC25BCDC25AS100A4MAP2K7AURKA
SCHEMBL571026 0.72 CDC25B (0.68) CDC25BCDC25AS100A4MAP2K7AURKA
Water SCHEMBL8664586 0.70 CDC25B (0.65) CDC25BCDC25AS100A4MAP2K7AURKA
SCHEMBL7915423 0.69 CDC25B (0.48) CDC25BCDC25AS100A4MAP2K7AURKA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132401-B Compositions and methods for enhancing topical application of acidic benefit agents 强生消费者公司 2020-06-09 CN disclosed
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 CDC25B 90/4885CDC25A 14/4885S100A4 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.