SCHEMBL10186440

SCHEMBL10186440

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ DGAT1 O75907 5/20 0.38
▸ ACSL1 P33121 7/20 0.38
▸ CCR3 P51677 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ MMP12 P39900 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL10184949 0.94 DGAT1 (0.39) PTGDR2DGAT1ACSL1CCR3HRH3
SCHEMBL10184394 0.89 HRH3 (0.41) DGAT1ACSL1CCR3HRH3MMP12
SCHEMBL10185146 0.89 MAPK1 (0.42) PTGDR2DGAT1ACSL1CCR3HRH3
SCHEMBL10186462 0.88 DGAT1 (0.48) DGAT1HRH3MMP12
SCHEMBL10185364 0.86 CCR3 (0.44) PTGDR2ACSL1CCR3HRH3HRH1
SCHEMBL10185105 0.86 CCR3 (0.49) PTGDR2ACSL1CCR3HRH1P2RX7
SCHEMBL10186162 0.86 CCR3 (0.44) PTGDR2DGAT1ACSL1CCR3HRH3
SCHEMBL10186424 0.85 ALDH1A1 (0.46) PTGDR2DGAT1ACSL1
SCHEMBL10186189 0.85 HRH3 (0.42) DGAT1ACSL1HRH3MMP12P2RX7
SCHEMBL10185353 0.85 PTGDR2 (0.40) PTGDR2DGAT1ACSL1CCR3HRH3

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 PTGDR2 2134/4885DGAT1 1/4885ACSL1 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.

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