SCHEMBL5731336

SCHEMBL5731336

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
PGR P06401 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAOA P21397 1/20 0.43
TBXA2R P21731 1/20 0.43
MAPK1 P28482 1/20 0.43
AVPR2 P30518 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
PDE3A Q14432 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SLC29A1 Q99808 1/20 0.43
TRAP1 Q12931 1/20 0.42
IDO1 P14902 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL5732276 0.87 FABP4 (0.41) TDP1LMNAHTTMAPTPGR
SCHEMBL5710694 0.86 FFAR1 (0.46) TDP1LMNAHTTMAPTPGR
SCHEMBL5731410 0.85 SRD5A2 (0.46) TDP1LMNAHTTMAPTPGR
SCHEMBL5710686 0.84 TRAP1 (0.51) TDP1LMNAHTTMAPTPGR
SCHEMBL5731392 0.83 MAPK1 (0.47) TDP1LMNAHTTMAPTPGR
SCHEMBL5731060 0.81 ALDH1A1 (0.45) TDP1LMNAHTTMAPTIDO1
SCHEMBL13675411 0.81 LMNA (0.57) TDP1LMNAHTTMAPTCYP2C9
SCHEMBL5732481 0.80 APEX1 (0.52) MAPK1AKR1B1FFAR1KDM4EPTGER4
SCHEMBL5732483 0.80 APEX1 (0.52) MAPK1AKR1B1FFAR1KDM4EPTGER4
SCHEMBL5731614 0.79 HPGD (0.49) LMNAMAPTPOLBGAAALDH1A1

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 TDP1 2008/4885LMNA 79/4885HTT 3456/4885

“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.