SCHEMBL5731228

SCHEMBL5731228

COC1=C(OC)C(=O)C(Cc2ccc(C(=O)N3CCOCC3)cc2)=C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GLA P06280 1/20 0.46
PHGDH O43175 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44

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
SCHEMBL5730966 0.88 HPGD (0.50) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5732788 0.88 L3MBTL1 (0.56) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL5731269 0.86 HPGD (0.51) HPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5731137 0.86 HTT (0.54) HPGDSMN1; SMN2GAAALDH1A1MAPT
SCHEMBL5731507 0.84 FKBP1A (0.62) HPGDGAAALDH1A1L3MBTL1KDM4E
SCHEMBL6095332 0.84 KCNH2 (0.43) HPGDSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL6095118 0.84 ALDH1A1 (0.50) SMN1; SMN2GAAALDH1A1KDM4EHTT
SCHEMBL5731671 0.83 FKBP1A (0.54) GAAALDH1A1HTTKMT2AGLA
SCHEMBL5731612 0.82 RAB9A (0.55) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5731608 0.82 RAB9A (0.55) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1008346-B1 NF-kB INHIBITORS CONTAINING BENZOQUINONE DERIVATIVES DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-02-15 EP claimed
US-20040030129-A1 NF-kappaB inhibitor comprising phenylmethyl benzoquinone as an active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-12 US claimed
EP-1008346-A1 NF-$g(k)B INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT PHENYLMETHYL BENZOQUINONE SUNTORY LIMITED (JP) 2000-06-14 EP claimed
EP-1008346-B1 NF-kB INHIBITORS CONTAINING BENZOQUINONE DERIVATIVES DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-02-15 EP disclosed
US-6943196-B1 NF-κB inhibitor comprising phenylmethyl benzoquinone as the active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-09-13 US disclosed
US-6703421-B1 ADMINISTERING NF-KAPPA B INHIBITOR DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-09 US disclosed
US-20040030129-A1 NF-kappaB inhibitor comprising phenylmethyl benzoquinone as an active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-12 US disclosed
EP-1132093-A1 PREVENTIVES OR REMEDIES FOR MYOCARDITIS, DILATED CARDIOMYOPATHY AND CARDIAC INSUFFICIENCY CONTAINING NF-KAPPA B INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2001-09-12 EP disclosed
EP-1008346-A1 NF-$g(k)B INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT PHENYLMETHYL BENZOQUINONE SUNTORY LIMITED (JP) 2000-06-14 EP 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-20040030129-A1 NF-kappaB inhibitor comprising phenylmethyl benzoquinone as an active ingredient NFKBIA, NFKB2, NFKB1 HPGD 472/4885SMN1; SMN2 3674/4885NPC1 1129/4885

“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.