SCHEMBL10185353

SCHEMBL10185353

Cc1cc(O[C@H]2CC[C@@H](C(=O)O)CC2)ccc1C(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
ACSL1 P33121 5/20 0.40
CCR3 P51677 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FABP4 P15090 1/20 0.39
DGAT1 O75907 7/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL10186424 0.93 ALDH1A1 (0.46) PTGDR2ACSL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10186172 0.91 CHRM1 (0.47) PTGDR2ACSL1CCR3ALDH1A1SMN1; SMN2
SCHEMBL10186162 0.89 CCR3 (0.44) PTGDR2ACSL1CCR3ALDH1A1HRH3
SCHEMBL10185364 0.89 CCR3 (0.44) PTGDR2ACSL1CCR3KDM4EHRH3
SCHEMBL10185105 0.89 CCR3 (0.49) PTGDR2ACSL1CCR3
SCHEMBL10184909 0.88 DGAT1 (0.47) PTGDR2HRH3FABP4DGAT1
SCHEMBL10185185 0.87 NPC1 (0.50) ALDH1A1SMN1; SMN2DGAT1
SCHEMBL10186165 0.87 CCR3 (0.43) PTGDR2ACSL1CCR3HRH3DGAT1
SCHEMBL10184366 0.86 PDE4A (0.41) PTGDR2ACSL1ALDH1A1SMN1; SMN2HRH3
SCHEMBL10186453 0.86 DGAT1 (0.42) ACSL1ALDH1A1SMN1; SMN2HRH3DGAT1

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 PTGDR2 2134/4885ACSL1 508/4885CCR3 4296/4885

“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.