SCHEMBL3376352

SCHEMBL3376352

CCS(=O)(=O)Oc1cccc2c1C(=O)OC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPT P10636 5/20 0.36
NPC1 O15118 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TYMS P04818 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ELANE P08246 2/20 0.34
TOP1 P11387 1/20 0.33
APAF1 O14727 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
SCHEMBL550665 0.83 TDP1 (0.39) TDP1ALOX15ALDH1A1MAPTNPC1
SCHEMBL3375826 0.82 ALOX15 (0.32) TDP1ALOX15ALDH1A1MAPTNPC1
SCHEMBL21543800 0.78 TTR (0.46) TDP1ALOX15ALDH1A1MAPTHPGD
SCHEMBL3374741 0.76 DRD2 (0.44) TDP1ALOX15ALDH1A1MAPTNPC1
SCHEMBL382674 0.75 TOP1 (0.56) TDP1ALOX15ALDH1A1MAPTNPC1
SCHEMBL30610021 0.75 TOP1 (0.56) TDP1ALOX15ALDH1A1MAPTNPC1
SCHEMBL9663235 0.75 TDP1 (0.44) TDP1ALOX15ALDH1A1MAPTNPC1
SCHEMBL21543827 0.75 CYP2A6 (0.48) TDP1ALOX15ALDH1A1MAPTHPGD
SCHEMBL261809 0.75 TDP1 (0.48) TDP1ALOX15ALDH1A1MAPTNPC1
SCHEMBL8948094 0.75 TDP1 (0.48) TDP1ALOX15ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517886-B1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed
US-7132455-B2 Phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-11-07 US disclosed
US-20060035967-A1 Novel phthalamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-02-16 US disclosed
EP-1517886-A1 NOVEL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-03-30 EP disclosed
WO-2004000796-A1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-12-31 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-20060035967-A1 Novel phthalamide derivatives HDAC1, HDAC2, CRY1 TDP1 3715/4885ALOX15 4156/4885ALDH1A1 1071/4885

“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.