SCHEMBL851273

SCHEMBL851273

CCOC(=O)c1cc(OCCc2ccccc2)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.49
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
ELANE P08246 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
FFAR1 O14842 1/20 0.43
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
MAOB P27338 1/20 0.43
ABCB1 P08183 1/20 0.43
HPGD P15428 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL851769 0.87 MEN1 (0.51) PPARGPPARDPPARAALDH1A1MAPT
SCHEMBL851271 0.85 PARP15 (0.53) ELANEL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL851274 0.84 L3MBTL1 (0.51) PPARGELANEL3MBTL1TDP1ALDH1A1
SCHEMBL851619 0.83 RAB9A (0.58) TDP1MAPTFFAR1MAOB
SCHEMBL851554 0.83 FFAR1 (0.53) FFAR1MAOB
SCHEMBL4317518 0.80 TDP1 (0.60) PPARGL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL852068 0.80 ST14 (0.49) ELANEL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL851812 0.79 MAPT (0.47) PPARGPPARAL3MBTL1TDP1MAPT
SCHEMBL851126 0.78 CA12 (0.56) ELANETDP1ALDH1A1MAPTKMT2A
SCHEMBL851518 0.77 MAOB (0.56) ALDH1A1MAPTFFAR1MAOBKMT2A

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
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PPARG 4691/4885PPARD 4787/4885PPARA 4625/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PPARG 4691/4885PPARD 4787/4885PPARA 4625/4885

“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.