SCHEMBL664009

SCHEMBL664009

O=C(OCc1ccccc1)c1ccc(OC2CCC(O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.59
FAAH O00519 2/20 0.59
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL6539852 0.89 KMT2A (0.59) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL19381880 0.88 KMT2A (0.58) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL663364 0.86 KMT2A (0.55) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL665140 0.84 EPHX2 (0.54) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL240105 0.84 EPHX2 (0.54) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL10147938 0.84 EPHX2 (0.54) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL14487845 0.84 CHRNB2 (0.54) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL662856 0.81 FAAH (0.51) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL662333 0.80 EPHX2 (0.52) EPHX2FAAHKMT2ATDP1SLC6A2
SCHEMBL312287 0.78 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA

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 1026/4885KMT2A 441/4885

“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.