SCHEMBL5731374

SCHEMBL5731374

CCOC(=O)CCc1cccc(CC2=C(C)C(=O)C(C)=C(C)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
PTPN1 P18031 2/20 0.45
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SYK P43405 3/20 0.39
CYP4Z1 Q86W10 1/20 0.39
ALOX5 P09917 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL5712803 0.89 CYP4F2 (0.44) CYP4F2CYP4A11PTPN1TDP1ALDH1A1
SCHEMBL5731698 0.84 FFAR1 (0.47)
SCHEMBL4425984 0.83 CYP4F2 (0.64) CYP4F2CYP4A11TDP1ALDH1A1GAA
SCHEMBL5731888 0.79 SMN1; SMN2 (0.49)
SCHEMBL13104077 0.79 CYP4F2 (0.58) CYP4F2CYP4A11TDP1ALDH1A1GAA
SCHEMBL22070553 0.78 CYP4F2 (0.76) CYP4F2CYP4A11TDP1ALDH1A1GAA
SCHEMBL3175580 0.78 CYP4F2 (0.57) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL10725552 0.78 CYP4F2 (0.61) CYP4F2CYP4A11TDP1ALDH1A1GAA
SCHEMBL5730953 0.78 NPC1 (0.44) PTPN1ALDH1A1GAA
SCHEMBL7325206 0.77 PTPN1 (0.51) CYP4F2CYP4A11PTPN1ALDH1A1GAA

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 6 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
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 CYP4F2 3780/4885CYP4A11 1862/4885PTPN1 2006/4885

“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.