SCHEMBL10185533

SCHEMBL10185533

Cc1ccc(Oc2ccc(C(=O)NCCNC(=O)c3ccc(O[C@H]4CC[C@@H](C(=O)O)CC4)cc3F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.47
HRH3 Q9Y5N1 2/20 0.44
ACSL1 P33121 3/20 0.42
DGAT1 O75907 4/20 0.42
SOAT1 P35610 1/20 0.42
MAPK14 Q16539 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CHRM4 P08173 1/20 0.40
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL10186202 0.92 DGAT1 (0.45) HRH3DGAT1SOAT1MAPK14PTGDR2
SCHEMBL10186204 0.92 CA12 (0.47) HRH3ACSL1DGAT1SOAT1CHRM4
SCHEMBL10186471 0.91 DGAT1 (0.48) HRH3DGAT1SOAT1
SCHEMBL10184390 0.89 NPC1 (0.48) HRH3DGAT1SOAT1NPC1HTT
SCHEMBL10185015 0.88 HRH3 (0.42) HRH3ACSL1DGAT1SOAT1MEN1
SCHEMBL10185270 0.88 MMP13 (0.57) MMP13HRH3ACSL1DGAT1MAPK14
SCHEMBL10185474 0.88 HRH3 (0.45) HRH3ACSL1DGAT1SOAT1
SCHEMBL10185026 0.87 HRH3 (0.44) HRH3DGAT1SOAT1MEN1KMT2A
SCHEMBL10185145 0.87 DGAT1 (0.46) HRH3DGAT1SOAT1NPC1SMN1; SMN2
SCHEMBL10186184 0.87 ALDH1A1 (0.44) HRH3DGAT1SOAT1PTGDR2SMN1; SMN2

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 MMP13 1847/4885HRH3 2422/4885ACSL1 508/4885

“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.