SCHEMBL480930

SCHEMBL480930

COC(=O)COc1cccc(N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.40
F2 P00734 1/20 0.40
FAAH O00519 1/20 0.40
PDK2 Q15119 1/20 0.40
LMNA P02545 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL13187241 0.87 LMNA (0.51) BRD4ALDH1A1KMT2AMEN1F2
SCHEMBL7662022 0.87 F2 (0.45) BRD4ALDH1A1KMT2AMEN1F2
SCHEMBL13187239 0.86 BRD4 (0.45) BRD4ALDH1A1KMT2AMEN1F2
SCHEMBL21162917 0.81 MTNR1A (0.46) BRD4F2PDK2MTNR1AMTNR1B
SCHEMBL21162918 0.81 F2 (0.45) BRD4ALDH1A1KMT2AF2PDK2
SCHEMBL15725251 0.80 BRD4 (0.46) BRD4ALDH1A1GAAPDK2LMNA
SCHEMBL1549433 0.79 POLB (0.42) ALDH1A1CYP1A2KMT2AMEN1LMNA
SCHEMBL4852890 0.79 APP (0.44) ALDH1A1CYP1A2KMT2AMEN1LMNA
SCHEMBL4859381 0.78 ALDH1A1 (0.40) BRD4ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL4856543 0.78 ALDH1A1 (0.38) BRD4ALDH1A1CYP1A2KMT2AMEN1

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-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. 2012-11-08 US disclosed
US-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. 2012-11-08 US disclosed
US-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. 2012-11-08 US disclosed
EP-2410856-A1 DIAMINOPTERIDINE DERIVATIVES Biorelix, Inc. (US) 2012-02-01 EP disclosed
WO-2010110907-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. (US) 2010-09-30 WO disclosed
WO-2010110907-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. (US) 2010-09-30 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-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES MPO, AOC1, DCTD BRD4 1252/4885ALDH1A1 3124/4885CYP1A2 3404/4885

“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.