SCHEMBL663364

SCHEMBL663364

O=C1CCC(Oc2ccc(C(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
FAAH O00519 1/20 0.55
EPHX2 P34913 1/20 0.55
LMNA P02545 4/20 0.55
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.43

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 0.88 KMT2A (0.59) KMT2ATDP1SLC6A2SLC6A3FAAH
SCHEMBL19381880 0.87 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3FAAH
SCHEMBL664009 0.86 EPHX2 (0.59) KMT2ATDP1SLC6A2SLC6A3FAAH
SCHEMBL14487845 0.82 CHRNB2 (0.54) KMT2ATDP1SLC6A2SLC6A3FAAH
SCHEMBL10147938 0.81 EPHX2 (0.54) KMT2ATDP1SLC6A2SLC6A3FAAH
SCHEMBL665140 0.81 EPHX2 (0.54) KMT2ATDP1SLC6A2SLC6A3FAAH
SCHEMBL240105 0.81 EPHX2 (0.54) KMT2ATDP1SLC6A2SLC6A3FAAH
SCHEMBL662856 0.80 FAAH (0.51) KMT2ATDP1SLC6A2SLC6A3FAAH
SCHEMBL10185028 0.78 LMNA (0.57) SLC6A3LMNAMAPTALDH1A1HPGD
SCHEMBL3553593 0.77 LMNA (0.46) KMT2ATDP1SLC6A2SLC6A3FAAH

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 KMT2A 441/4885TDP1 2744/4885SLC6A2 428/4885

“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.