SCHEMBL663986

SCHEMBL663986

O=C(O)c1ccc(OCC2CCC2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.54
KMO O15229 2/20 0.53
DPP4 P27487 1/20 0.49
PREP P48147 1/20 0.49
FAP Q12884 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
HPGD P15428 5/20 0.49
PTGER1 P34995 2/20 0.48
MRGPRX4 Q96LA9 5/20 0.48
XDH P47989 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1015121 0.94 KMO (0.58) MAP4K4KMODPP4PREPFAP
SCHEMBL10148381 0.83 MAP4K4 (0.54) MAP4K4HPGDPTGER1MRGPRX4XDH
SCHEMBL10148081 0.83 MAP4K4 (0.54) MAP4K4PTGER1MRGPRX4XDHPARP15
SCHEMBL1013024 0.82 KMO (0.52) KMOHPGDPARP15PARP10PARP2
SCHEMBL10148399 0.82 KDM5A (0.54) MAP4K4KMODPP4PREPFAP
SCHEMBL6940040 0.82 TSHR (0.62) MAP4K4DPP4MRGPRX4XDH
SCHEMBL28034346 0.80 PDE4B (0.53) MAP4K4XDHPARP15PARP10PARP2
SCHEMBL13125277 0.80 NPC1 (0.56) HPGDPTGER1NPC1RAB9ASMN1; SMN2
SCHEMBL10148083 0.80 MAP4K4 (0.54) MAP4K4PTGER1XDHPARP15PARP10
SCHEMBL3170758 0.80 KMO (0.50) KMO

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 5 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
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO 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 MAP4K4 3718/4885KMO 2307/4885DPP4 123/4885

“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.