SCHEMBL13355241

SCHEMBL13355241

CC(C)CC(C)(C)CN1C(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.41
BLM P54132 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GMNN O75496 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
FAAH O00519 4/20 0.37
WRN Q14191 2/20 0.36
HPGD P15428 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL9185950 0.83 MGLL (0.38) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL10584708 0.83 MGLL (0.42) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL22399174 0.83 MGLL (0.52) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL258452 0.80 MGLL (0.39) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL16552283 0.77 MGLL (0.52) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL18511472 0.77 MGLL (0.46) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL23900909 0.75 MGLL (0.44) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL17924912 0.75 MGLL (0.44) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL409863 0.73 MGLL (0.52) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL15269449 0.72 CYP2C19 (0.47) MGLLBLMALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230211008-A1 CONJUGATES ORUM THERAPEUTICS, INC. (KR) 2023-07-06 US disclosed
WO-2021198966-A1 CONJUGATES ORUM THERAPEUTICS, INC. (KR) 2021-10-07 WO disclosed
WO-2020023247-A1 IMAGING AGENTS FOR RADIOLABELING EXOGENOUS AND ENDOGENOUS ALBUMIN CENTURION BIOPHARMA CORPORATION (US) 2020-01-30 WO disclosed
US-20100129314-A1 POTENT CONJUGATES AND HYDROPHILIC LINKERS IMMUNOGEN INC. (US) 2010-05-27 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 (2 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-20100129314-A1 POTENT CONJUGATES AND HYDROPHILIC LINKERS CD44, EPCAM, ABCG2 MGLL 4310/4885BLM 4078/4885ALDH1A1 1029/4885
US-20230211008-A1 CONJUGATES CD74, CD47, HLA-DRB1 MGLL 3521/4885BLM 169/4885ALDH1A1 1667/4885

“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.