SCHEMBL10186202

SCHEMBL10186202

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.45
HRH3 Q9Y5N1 1/20 0.43
SOAT1 P35610 3/20 0.43
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
CYP3A4 P08684 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARA Q07869 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39
CA9 Q16790 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
SCHEMBL10186204 0.94 CA12 (0.47) DGAT1HRH3SOAT1CA12CA1
SCHEMBL10186471 0.93 DGAT1 (0.48) DGAT1HRH3SOAT1
SCHEMBL10185533 0.92 MMP13 (0.47) DGAT1HRH3SOAT1PTGDR2CYP3A4
SCHEMBL10184332 0.90 DGAT1 (0.51) DGAT1HRH3SOAT1CYP3A4MAPK14
SCHEMBL10185010 0.89 DGAT1 (0.46) DGAT1HRH3SOAT1PTGDR2
SCHEMBL10185026 0.89 HRH3 (0.44) DGAT1HRH3SOAT1PTGDR2ALDH1A1
SCHEMBL10184390 0.88 NPC1 (0.48) DGAT1HRH3SOAT1ALDH1A1SMN1; SMN2
SCHEMBL10186184 0.88 ALDH1A1 (0.44) DGAT1HRH3SOAT1PTGDR2ALDH1A1
SCHEMBL10185066 0.88 EPHX2 (0.43) DGAT1HRH3SOAT1PTGDR2MAPK14
SCHEMBL10185474 0.87 HRH3 (0.45) DGAT1HRH3SOAT1

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 DGAT1 1/4885HRH3 2422/4885SOAT1 6/4885

“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.