SCHEMBL449523

SCHEMBL449523

O=C1CC(=O)C2C3C=CC(CC3)C12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
APEX1 P27695 2/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL431044 1.00 POLB (0.42) POLBALDH1A1TDP1L3MBTL1APEX1
SCHEMBL432513 0.83 ALDH1A1 (0.50) POLBALDH1A1TDP1L3MBTL1RECQL
SCHEMBL448714 0.83 ALDH1A1 (0.50) POLBALDH1A1TDP1L3MBTL1RECQL
SCHEMBL20561319 0.77 POLB (0.45) POLBALDH1A1TDP1L3MBTL1APEX1
SCHEMBL2545104 0.72 POLB (0.42) POLBALDH1A1TDP1L3MBTL1APEX1
SCHEMBL14116733 0.71 ALDH1A1 (0.42) POLBALDH1A1KMT2A
SCHEMBL4488756 0.70 POLB (0.41) POLBALDH1A1TDP1L3MBTL1APEX1
SCHEMBL2512784 0.70 TDP1 (0.48) POLBALDH1A1TDP1L3MBTL1APEX1
SCHEMBL21117867 0.70 TDP1 (0.48) POLBALDH1A1TDP1L3MBTL1APEX1
SCHEMBL5833458 0.70 TDP1 (0.48) POLBALDH1A1TDP1L3MBTL1APEX1

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
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 POLB 4374/4885ALDH1A1 14/4885TDP1 1576/4885

“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.