SCHEMBL10186408

SCHEMBL10186408

O=C(NCCNC(=O)C1CCC(c2ccccc2)CC1)c1ccc(OC2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DGAT1 O75907 7/20 0.48
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL663633 0.91 DGAT1 (0.48) ALDH1A1SMN1; SMN2DGAT1HSD17B10LMNA
SCHEMBL10185794 0.91 DGAT1 (0.48) ALDH1A1SMN1; SMN2DGAT1HSD17B10LMNA
SCHEMBL663632 0.91 DGAT1 (0.48) ALDH1A1SMN1; SMN2DGAT1HSD17B10LMNA
SCHEMBL664557 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HSD17B10OPRM1OPRD1
SCHEMBL10184513 0.88 DGAT1 (0.49) ALDH1A1DGAT1HSD17B10OPRM1OPRD1
SCHEMBL664114 0.88 DGAT1 (0.56) ALDH1A1DGAT1HSD17B10OPRM1OPRD1
SCHEMBL10184323 0.88 DGAT1 (0.56) ALDH1A1DGAT1HSD17B10OPRM1OPRD1
SCHEMBL664113 0.88 DGAT1 (0.56) ALDH1A1DGAT1HSD17B10OPRM1OPRD1
SCHEMBL10185023 0.87 DGAT1 (0.46) ALDH1A1SMN1; SMN2DGAT1HSD17B10OPRM1
SCHEMBL10186137 0.87 DGAT1 (0.52) ALDH1A1SMN1; SMN2DGAT1MEN1KMT2A

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 ALDH1A1 963/4885SMN1; SMN2 4464/4885DGAT1 1/4885

“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.