SCHEMBL3194897

SCHEMBL3194897

O=C(O)COCC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
CES1 P23141 1/20 0.54
KMT2A Q03164 1/20 0.54
NR4A2 P43354 1/20 0.54
ALDH1A1 P00352 4/20 0.50
GSK3B P49841 2/20 0.50
PTPN1 P18031 2/20 0.50
TRPA1 O75762 1/20 0.50
HIF1A Q16665 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49

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
SCHEMBL864716 0.93 MAPT (0.61) TDP1MAPTMAPK1HPGDALOX15
Biphenyl SCHEMBL9787041 0.87 L3MBTL1 (0.58) TDP1MAPTMAPK1HPGDALOX15
Phenol SCHEMBL11815882 0.85 TDP1 (0.52) TDP1MAPTMAPK1HPGDALOX15
Catechol SCHEMBL9787047 0.85 ESR1 (0.57) TDP1MAPTMAPK1HPGDALOX15
Hydroquinone SCHEMBL9786967 0.85 CES2 (0.54) TDP1MAPTMAPK1HPGDALOX15
SCHEMBL3216220 0.83 L3MBTL1 (0.51) TDP1MAPTMAPK1HPGDALOX15
SCHEMBL3136962 0.83 TDP1 (0.54) TDP1MAPTMAPK1HPGDALOX15
SCHEMBL6663212 0.81 HPGD (0.39) TDP1MAPTMAPK1HPGDALOX15
SCHEMBL5854020 0.81 MAPT (0.52) TDP1MAPTMAPK1HPGDALOX15
SCHEMBL5027527 0.81 MAPT (0.52) TDP1MAPTMAPK1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
EP-2179037-A2 METHODS FOR DIAGNOSIS, PROGNOSIS AND METHODS OF TREATMENT Nodality, Inc. (US) 2010-04-28 EP disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 US disclosed
CN-101553476-A Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2009-10-07 CN disclosed
EP-2081918-A2 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-07-29 EP disclosed
WO-2009025847-A2 METHODS FOR DIAGNOSIS, PROGNOSIS AND METHODS OF TREATMENT NODALITY, INC. (US) 2009-02-26 WO disclosed
WO-2008042928-A2 OXADIAZOLE AND THIADIAZOLE DERIVATIVES AS MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-04-10 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-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B TDP1 174/4885MAPT 105/4885MAPK1 1606/4885

“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.