SCHEMBL5455307

SCHEMBL5455307

COC1=C(C)C(=O)C(C(C)O)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.48
CDC25B P30305 2/20 0.48
IDO1 P14902 3/20 0.41
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAP2K7 O14733 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 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
SCHEMBL15944061 0.83 CDC25A (0.52) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL9655485 0.78 CDC25A (0.64) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL5822470 0.73 CDC25B (0.50) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL12592463 0.73 CDC25A (0.58) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL8248751 0.72 IDO1 (0.48) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL22449556 0.72 CDC25A (0.38) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL8368999 0.72 IDO1 (0.44) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL14507706 0.69 CDC25A (0.54) CDC25ACDC25BIDO1MAPTALDH1A1
Aurantiogliocladin SCHEMBL487583 0.67 MAPT (0.50) CDC25ACDC25BIDO1MAPTALDH1A1
SCHEMBL5590298 0.67 CDC25A (0.56) CDC25ACDC25BIDO1MAPTALDH1A1

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-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-30 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-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier NDUFB5, NDUFB7, NDUFB3 CDC25A 4834/4885CDC25B 4684/4885IDO1 2516/4885

“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.