SCHEMBL5731206

SCHEMBL5731206

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)O)c2)=C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 13/20 0.49
▸ TP53 P04637 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ FOLH1 Q04609 1/20 0.45
▸ FABP4 P15090 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 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
SCHEMBL5731410 0.85 SRD5A2 (0.46) SMN1; SMN2RAB9ACA1CA2
SCHEMBL5732276 0.84 FABP4 (0.41) NFKB1FABP4
SCHEMBL5730958 0.84 KDM4E (0.44) MRGPRX4SMN1; SMN2RAB9A
SCHEMBL5730831 0.82 FFAR1 (0.43) FABP4
SCHEMBL5731705 0.81 NPC1 (0.55) TP53SMN1; SMN2RAB9A
SCHEMBL5731758 0.80 APEX1 (0.50) PKMSMN1; SMN2CA1CA2CA9
SCHEMBL5731721 0.80 MAPK1 (0.44) SMN1; SMN2RXFP1
SCHEMBL5731759 0.80 APEX1 (0.50) PKMSMN1; SMN2CA1CA2CA9
SCHEMBL5732788 0.79 L3MBTL1 (0.56) TP53SMN1; SMN2RAB9A
SCHEMBL5731390 0.79 ALDH1A1 (0.45) TP53PKMSMN1; SMN2RAB9A

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 MRGPRX4 3851/4885TP53 1470/4885PKM 1286/4885

“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.

Send feedback