SCHEMBL13653529

SCHEMBL13653529

CCOP(=O)(CCCCOc1ccc(C(C)=O)cc1)OCC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ GAA P10253 1/20 0.64
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAOB P27338 2/20 0.48
▸ HRH2 P25021 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.46
▸ PLA2G4B P0C869 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.43

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
SCHEMBL17652958 0.85 L3MBTL1 (0.47) L3MBTL1GAATP53TSHRPLA2G4B
SCHEMBL8102366 0.84 TP53 (0.59) L3MBTL1ALDH1A1TP53TSHRPLA2G4B
SCHEMBL4169303 0.82 L3MBTL1 (0.54) L3MBTL1GAAMAPTALDH1A1MAOB
SCHEMBL18868405 0.81 L3MBTL1 (1.00) L3MBTL1GAAMAPTALDH1A1MAOB
SCHEMBL14036698 0.81 SMN1; SMN2 (0.50) MAPTALDH1A1HRH3LMNAKDM4E
SCHEMBL8094683 0.79 TSHR (0.56) L3MBTL1ALDH1A1TP53TSHRPLA2G4B
SCHEMBL5053396 0.79 KCNA3 (0.52) —
SCHEMBL13530673 0.79 TBXAS1 (0.50) PLA2G4BKDM4E
SCHEMBL1470028 0.78 L3MBTL1 (0.85) L3MBTL1GAAMAPTALDH1A1TP53
SCHEMBL1092185 0.78 L3MBTL1 (0.85) L3MBTL1GAAMAPTALDH1A1TP53

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES L3MBTL1 4852/4885GAA 1850/4885MAPT 2574/4885

“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.

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