SCHEMBL18157046

SCHEMBL18157046

O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCN1C(=O)C=CC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.62
PTGS2 P35354 7/20 0.62
MGLL Q99685 8/20 0.56
FAAH O00519 4/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSP90AA1 P07900 1/20 0.47
TLR9 Q9NR96 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR35 Q9HC97 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
SCHEMBL22311909 0.90 MGLL (0.71) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16933147 0.90 MGLL (0.71) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL10079339 0.90 MGLL (0.71) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL27420754 0.90 MGLL (0.71) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15215618 0.90 MGLL (0.71) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5208692 0.90 MGLL (0.71) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17732171 0.90 MGLL (0.71) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13733359 0.90 MGLL (0.71) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5828798 0.88 MGLL (0.68) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12286854 0.87 MGLL (0.67) PTGS1PTGS2MGLLFAAHALDH1A1

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-20160303247-A1 Antibody-Drug Conjugates and Related Compounds, Compositions, and Methods IGENICA BIOTHERAPEUTICS, INC. (US) 2016-10-20 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-20160303247-A1 Antibody-Drug Conjugates and Related Compounds, Compositions, and Methods SDCBP, CD81, NGLY1 PTGS1 4063/4885PTGS2 4267/4885MGLL 4578/4885

“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.