SCHEMBL1829028

SCHEMBL1829028

CCS(=O)(=O)c1cccc2c1C(=O)OC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TYMS P04818 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PSIP1 O75475 2/20 0.35
TRPA1 O75762 1/20 0.34
STAT3 P40763 1/20 0.34
BRD4 O60885 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
APEX1 P27695 1/20 0.32
ATR Q13535 1/20 0.32
COMT P21964 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL1831245 0.81 ALOX15 (0.43) TDP1ALOX15ALDH1A1TSHRTYMS
SCHEMBL766110 0.81 ALOX15 (0.46) TDP1ALOX15ALDH1A1TSHRMAPK1
SCHEMBL17894508 0.78 TDP1 (0.43) TDP1ALOX15ALDH1A1TSHRMAPK1
SCHEMBL2281726 0.78 ALOX15 (0.43) TDP1ALOX15ALDH1A1TSHRMAPK1
SCHEMBL3192467 0.74 HTR6 (0.46) TDP1ALOX15TSHRTYMSPOLB
SCHEMBL1826217 0.73 ALOX15 (0.46) TDP1ALOX15ALDH1A1TSHRMAPK1
SCHEMBL3376352 0.71 TDP1 (0.36) TDP1ALOX15ALDH1A1TSHRMAPK1
SCHEMBL2087097 0.71 TDP1 (0.60) TDP1ALOX15ALDH1A1TSHRMAPK1
SCHEMBL31548711 0.71 TDP1 (0.60) TDP1ALOX15ALDH1A1TSHRMAPK1
SCHEMBL3473753 0.70 ALOX15 (0.43) TDP1ALOX15ALDH1A1TYMSSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 TDP1 4411/4885ALOX15 3948/4885ALDH1A1 928/4885

“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.