SCHEMBL846623

SCHEMBL846623

CCOC(=O)C(C(C)=O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CDC25B P30305 3/20 0.48
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
MMP8 P22894 1/20 0.43
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
NPBWR1 P48145 1/20 0.42
LTC4S Q16873 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1433197 0.92 ALDH1A1 (0.53) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL28028637 0.88 HPGD (0.49) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL20912990 0.85 ALDH1A1 (0.47) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL7925164 0.84 CTNNB1 (0.47) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL1667040 0.84 ALDH1A1 (0.50) ALDH1A1HPGD
SCHEMBL25156303 0.81 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL10412730 0.81 ALDH1A1 (0.51) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL31360448 0.81 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL15203285 0.81 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL7060201 0.81 ALDH1A1 (0.46) ALDH1A1HPGDCDC25BCDC25ACDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 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
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
EP-2432468-A2 METHODS OF MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
WO-2010135536-A2 METHODS OF 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
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
US-5929067-A N-ACYLATING AMINE DERIVATIVE OF CAPROLACTAM COMPOUND WITH A CARBOXYLIC ACID OR DERIVATIVES TO FORM AMIDE DERIVATIVE OF CAPROLACTAM COMPOUND NOVARTIS AG (CH) 1999-07-27 US disclosed
EP-0810991-B1 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS NOVARTIS AG (CH) 1999-04-14 EP disclosed
EP-0810991-A1 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS Novartis AG (CH) 1997-12-10 EP disclosed
WO-1996026183-A1 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS NOVARTIS AG (CH) 1996-08-29 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 (2 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 188/4885HPGD 846/4885CDC25B 3681/4885
US-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT ALDH1A1 167/4885HPGD 806/4885CDC25B 3998/4885

“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.