SCHEMBL10186138

SCHEMBL10186138

O=C(NCCNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.53
TEAD1 P28347 1/20 0.50
FAAH O00519 3/20 0.49
DGAT1 O75907 7/20 0.48
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GCGR P47871 1/20 0.46
ADRB2 P07550 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45

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
SCHEMBL10184904 0.92 EPHX2 (0.61) EPHX2FAAHDGAT1GCGRADRB2
SCHEMBL10184403 0.91 DGAT1 (0.54) EPHX2FAAHDGAT1L3MBTL1HRH3
SCHEMBL10185060 0.90 ALDH1A1 (0.52) MAPK14
SCHEMBL10186156 0.90 NPC1 (0.52) EPHX2FAAHDGAT1L3MBTL1GCGR
SCHEMBL10185053 0.89 MLYCD (0.49) EPHX2FAAHDGAT1L3MBTL1HRH3
SCHEMBL10185045 0.89 EPHX2 (0.61) EPHX2FAAHGCGR
SCHEMBL10185254 0.89 MAPK14 (0.50) EPHX2DGAT1MAPK14GCGR
SCHEMBL10185096 0.89 ACSL1 (0.43) EPHX2TEAD1FAAHDGAT1MAPK14
SCHEMBL10185066 0.89 EPHX2 (0.43) EPHX2TEAD1FAAHDGAT1MAPK14
SCHEMBL10185123 0.89 RHOC (0.49) EPHX2FAAHDGAT1GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 EPHX2 1718/4885TEAD1 2681/4885FAAH 1026/4885

“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.