SCHEMBL662333

SCHEMBL662333

CC(C)(C)OC(=O)COC1CCC(Oc2ccc(C(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
FAAH O00519 1/20 0.52
LMNA P02545 2/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
BCHE P06276 5/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
ADRB2 P07550 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
SCHEMBL10148438 0.83 EPHX2 (0.47) EPHX2FAAHLMNATDP1ALDH1A1
SCHEMBL10148135 0.81 LMNA (0.46) EPHX2LMNAKMT2AMAPTALDH1A1
SCHEMBL1968491 0.81 KMT2A (0.55) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL664009 0.80 EPHX2 (0.59) EPHX2FAAHLMNAKMT2ATDP1
SCHEMBL6539852 0.79 KMT2A (0.59) EPHX2FAAHLMNAKMT2ATDP1
SCHEMBL15375880 0.78 USP30 (0.55) EPHX2FAAHLMNABCHECHRNB2
SCHEMBL15375881 0.78 USP30 (0.55) EPHX2FAAHLMNABCHECHRNB2
SCHEMBL15377844 0.78 USP30 (0.55) EPHX2FAAHLMNABCHECHRNB2
SCHEMBL19381880 0.78 KMT2A (0.58) EPHX2FAAHLMNAKMT2ATDP1
SCHEMBL21612929 0.77 SMN1; SMN2 (0.53) EPHX2FAAHLMNAKMT2ARAB9A

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
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
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 EPHX2 1718/4885FAAH 1026/4885LMNA 2889/4885

“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.