SCHEMBL5732104

SCHEMBL5732104

CC1=C(C)C(=O)C(Cc2ccc(CCC(=O)O)cc2)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.49
▸ KEAP1 Q14145 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ CYP26A1 O43174 1/20 0.43
▸ CYP26B1 Q9NR63 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL6700977 0.91 HSD17B10 (0.51) FFAR1ALDH1A1TBXAS1LMNA
SCHEMBL5731698 0.85 FFAR1 (0.47) FFAR1KEAP1FFAR4CYP26A1CYP26B1
SCHEMBL5710694 0.84 FFAR1 (0.46) FFAR1KEAP1FFAR4TBXAS1LMNA
SCHEMBL5731605 0.80 ALDH1A1 (0.55) FFAR1ALDH1A1NPSR1L3MBTL1
SCHEMBL7322408 0.79 NPSR1 (0.42) FFAR1KEAP1ALDH1A1NPSR1
SCHEMBL5731941 0.78 NPC1 (0.54) ALDH1A1LMNA
SCHEMBL3040732 0.77 TBXAS1 (0.50) ALDH1A1TBXAS1LMNAL3MBTL1
SCHEMBL5731888 0.77 SMN1; SMN2 (0.49) FFAR1FFAR4
SCHEMBL5731392 0.76 MAPK1 (0.47) FFAR1ALDH1A1LMNA
SCHEMBL5731685 0.76 FKBP1A (0.58) ALDH1A1NPSR1

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 10 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 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
CN-1212861-C Preventives or remedies for myocarditis, dilated cardiomyopathy and cardiac insufficiency containing NF-K B inhibitors as the active ingredient DAIICHI SUNTORY PHARMACEATICAL (JP) 2005-08-03 — — CN disclosed
CN-1181817-C NF-KB inhibitors containing as active ingredient phenylmethyl benzoquinone ��һ��������ҩ��ʽ���� 2004-12-29 — — CN 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
CN-1335777-A Preventives or remedies for myocarditis, dilated cardiomyopathy and cardiac insufficiency containing NF-K B inhibitors as the active ingredient SUNTORY LTD (JP) 2002-02-13 — — CN 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
CN-1262618-A NF-KB inhibitors containing as active ingredient phenylmethyl benzoquinone SUNTORY LTD (JP) 2000-08-09 — — CN 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 FFAR1 2537/4885KEAP1 42/4885CA1 4534/4885

“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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