SCHEMBL5731347

SCHEMBL5731347

CC1=C(C)C(=O)C(Cc2cccc(C=CC(=O)O)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LTB4R Q15722 1/20 0.46
▸ LTB4R2 Q9NPC1 1/20 0.46
▸ HDAC4 P56524 3/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ TNKS O95271 1/20 0.44
▸ HCAR2 Q8TDS4 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
SCHEMBL5731345 1.00 KDM4E (0.48) KDM4EALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL5731758 0.87 APEX1 (0.50) KDM4EALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL5731759 0.87 APEX1 (0.50) KDM4EALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL5731712 0.85 TBXAS1 (0.48) KDM4EALDH1A1PKMSMN1; SMN2HDAC4
SCHEMBL5731713 0.85 TBXAS1 (0.48) KDM4EALDH1A1PKMSMN1; SMN2HDAC4
SCHEMBL20546854 0.80 KDM4E (0.55) KDM4EALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL28357772 0.78 KDM4E (0.63) KDM4EALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL28357770 0.78 KDM4E (0.63) KDM4EALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL20546775 0.77 TBXAS1 (0.52) KDM4EALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL20546918 0.77 KDM4E (0.52) KDM4EALDH1A1PKMSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed
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 (2 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 KDM4E 4836/4885ALDH1A1 1004/4885PKM 4882/4885
US-20040030129-A1 NF-kappaB inhibitor comprising phenylmethyl benzoquinone as an active ingredient NFKBIA, NFKB2, NFKB1 KDM4E 651/4885ALDH1A1 1468/4885PKM 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.

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