SCHEMBL10184949

SCHEMBL10184949

Cc1cc(O[C@H]2CC[C@@H](C(=O)O)CC2)ccc1C(=O)NCCNC(=O)c1cc(C)c(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.39
▸ ACSL1 P33121 8/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MMP12 P39900 2/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ ACSL3 O95573 1/20 0.36
▸ ACSL6 Q9UKU0 1/20 0.36
▸ DAO P14920 1/20 0.36

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
SCHEMBL10186440 0.94 PTGDR2 (0.38) DGAT1ACSL1PTGDR2HRH3MMP12
SCHEMBL10186189 0.92 HRH3 (0.42) DGAT1ACSL1HRH3MMP12
SCHEMBL10184950 0.91 DGAT1 (0.46) DGAT1HRH3MMP12
SCHEMBL10185146 0.90 MAPK1 (0.42) DGAT1ACSL1PTGDR2HRH3CCR3
SCHEMBL10186424 0.86 ALDH1A1 (0.46) DGAT1ACSL1PTGDR2
SCHEMBL10185353 0.85 PTGDR2 (0.40) DGAT1ACSL1PTGDR2HRH3CCR3
SCHEMBL10185105 0.85 CCR3 (0.49) ACSL1PTGDR2CCR3
SCHEMBL10185364 0.85 CCR3 (0.44) ACSL1PTGDR2HRH3CCR3
SCHEMBL10186162 0.85 CCR3 (0.44) DGAT1ACSL1PTGDR2HRH3CCR3
SCHEMBL10186172 0.83 CHRM1 (0.47) ACSL1PTGDR2CCR3

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 1/4885ACSL1 508/4885PTGDR2 2134/4885

“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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