SCHEMBL9889443

SCHEMBL9889443

CCCCOC(=O)COC(=O)COC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
NAAA Q02083 1/20 0.50
ATM Q13315 1/20 0.47
FAAH O00519 2/20 0.46
DGKA P23743 1/20 0.45
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PAM P19021 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL6658249 0.98 ALDH1A1 (0.71) ALDH1A1NAAAATMFAAHDGKA
SCHEMBL468862 0.92 ALDH1A1 (0.61) ALDH1A1NAAAFAAHDGKATSHR
SCHEMBL22721948 0.90 NAAA (0.64) ALDH1A1NAAAFAAHDGKATSHR
SCHEMBL23471285 0.90 NAAA (0.64) ALDH1A1NAAAFAAHDGKATSHR
SCHEMBL3679273 0.85 ALDH1A1 (0.52) ALDH1A1NAAAATMFAAHDGKA
SCHEMBL27803412 0.85 NAAA (0.69) ALDH1A1NAAAATMFAAHDGKA
SCHEMBL12972011 0.85 ALDH1A1 (0.50) ALDH1A1NAAAFAAHDGKATSHR
SCHEMBL10612024 0.83 DGKA (0.67) ALDH1A1NAAAATMDGKATSHR
SCHEMBL3185929 0.83 ALDH1A1 (0.54) ALDH1A1NAAAATMFAAHDGKA
SCHEMBL11459086 0.82 ALDH1A1 (0.61) ALDH1A1NAAAATMFAAHDGKA

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-9120900-B2 Polymer-bound bisacylphosphine oxides BASF SE (DE) 2015-09-01 US disclosed
US-20150025169-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2015-01-22 US disclosed
US-20120142805-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2012-06-07 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-20120142805-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES PHOSPHO1, PARG, PEBP1 ALDH1A1 4528/4885NAAA 152/4885ATM 2239/4885

“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.