SCHEMBL10148381

SCHEMBL10148381

Cc1cc(C(=O)O)ccc1OCC1CCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.54
PDE4B Q07343 2/20 0.49
PTGER1 P34995 5/20 0.48
XDH P47989 1/20 0.48
PARP15 Q460N3 2/20 0.48
PARP10 Q53GL7 2/20 0.48
PARP2 Q9UGN5 1/20 0.48
HPGD P15428 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ELANE P08246 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL10148378 0.94 NR1H4 (0.48) MAP4K4PDE4BPTGER1PARP15PARP10
SCHEMBL12420684 0.84 XDH (0.53) MAP4K4PDE4BPTGER1XDHPARP15
SCHEMBL6940040 0.84 TSHR (0.62) MAP4K4PDE4BXDHPDE4APDE4C
SCHEMBL10148081 0.83 MAP4K4 (0.54) MAP4K4PDE4BPTGER1XDHPARP15
SCHEMBL663986 0.83 MAP4K4 (0.54) MAP4K4PTGER1XDHPARP15PARP10
SCHEMBL30863550 0.83 RBP4 (0.47) PDE4BMRGPRX4
SCHEMBL27195879 0.83 RBP4 (0.47) PDE4BMRGPRX4
SCHEMBL17050363 0.82 NR1H4 (0.48) MAP4K4PDE4BXDHPARP15PARP10
SCHEMBL7389578 0.82 PDE4B (0.60) PDE4BPARP15PARP10PDE4APDE4C
SCHEMBL17908114 0.81 PTGER1 (0.56) PTGER1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3718/4885PDE4B 1283/4885PTGER1 3642/4885

“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.