SCHEMBL10185552

SCHEMBL10185552

O=C(NCCNC(=O)c1cc(C2CC2)c(Cl)s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTGDR2 Q9Y5Y4 6/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MMP12 P39900 1/20 0.37

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
SCHEMBL10186462 0.89 DGAT1 (0.48) DGAT1HRH3HSD17B10L3MBTL1MMP12
SCHEMBL10185377 0.87 DGAT1 (0.45) DGAT1HRH3HSD17B10L3MBTL1MMP12
SCHEMBL10186478 0.87 HRH3 (0.40) DGAT1HRH3MMP12
SCHEMBL10184950 0.87 DGAT1 (0.46) DGAT1HRH3HSD17B10L3MBTL1MMP12
SCHEMBL10186469 0.85 DGAT1 (0.43) DGAT1HRH3PTGDR2L3MBTL1
SCHEMBL10186432 0.85 DGAT1 (0.43) DGAT1HRH3PTGDR2
SCHEMBL10185427 0.85 DGAT1 (0.49) DGAT1HRH3HSD17B10L3MBTL1
SCHEMBL10184880 0.85 DGAT1 (0.49) DGAT1HRH3HSD17B10L3MBTL1
SCHEMBL10185174 0.83 DGAT1 (0.46) DGAT1HRH3HSD17B10L3MBTL1
SCHEMBL10184403 0.83 DGAT1 (0.54) DGAT1HRH3HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US 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 2422/4885HSD17B10 240/4885

“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.

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