SCHEMBL845887

SCHEMBL845887

CCOC(=O)COc1onc(C)c1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
TP53 P04637 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
DHFR P00374 1/20 0.40

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
SCHEMBL845692 0.87 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL21359734 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL845526 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL29485556 0.74 CASP3 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL29485630 0.72 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL22610045 0.72 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL31520212 0.72 TSHR (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL11490448 0.72 TSHR (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL31526347 0.71 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL28441598 0.71 PTGS2 (0.48) ALDH1A1HPGDMAPTMITFLMNA

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-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
EP-2432774-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 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-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels XDH, PON1, RBP4 ALDH1A1 188/4885KDM4E 3112/4885SMN1; SMN2 1435/4885

“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.