SCHEMBL10185689

SCHEMBL10185689

O=C(NCCNC(=O)c1cc(-c2ccccc2)cs1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 5/20 0.53
▸ DGAT1 O75907 8/20 0.48
▸ HSD17B10 Q99714 1/20 0.43
▸ ACSL1 P33121 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL10185677 0.87 DGAT1 (0.46) MMP12DGAT1HSD17B10OPRM1OPRD1
SCHEMBL10186470 0.85 DGAT1 (0.44) MMP12DGAT1HSD17B10OPRM1OPRD1
SCHEMBL10186145 0.85 DGAT1 (0.49) DGAT1HSD17B10ACSL1MEN1ALDH1A1
SCHEMBL664114 0.84 DGAT1 (0.56) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL664113 0.84 DGAT1 (0.56) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL10184323 0.84 DGAT1 (0.56) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL10186496 0.83 KCNH2 (0.52) DGAT1HSD17B10
SCHEMBL10184403 0.83 DGAT1 (0.54) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL10186411 0.83 ALDH1A1 (0.55) DGAT1HSD17B10ALDH1A1LMNARAB9A
SCHEMBL10185122 0.81 CA12 (0.56) DGAT1HSD17B10MMP2OPRM1OPRD1

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 MMP12 1217/4885DGAT1 1/4885HSD17B10 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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