SCHEMBL20161211

SCHEMBL20161211

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.36
ALDH1A1 P00352 2/20 0.36
BLM P54132 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
RIPK1 Q13546 3/20 0.33
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL23900609 0.80 BLM (0.42) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL19027268 0.75 AKT1 (0.30)
SCHEMBL25468297 0.75
SCHEMBL23900480 0.75 BLM (0.34) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL26210982 0.74 BLM (0.33) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL21344801 0.74 BLM (0.37) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL23900539 0.73 MGLL (0.46) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL21415415 0.73 RIPK1 (0.38) RIPK1
SCHEMBL23900909 0.73 MGLL (0.44) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL20057185 0.72 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180135121-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-17 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-20180135121-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS TIAL1, NUP93, PORCN MGLL 3521/4885ALDH1A1 4876/4885BLM 902/4885

“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.