SCHEMBL5730877

SCHEMBL5730877

COC1=C(OC)C(=O)C(Cc2ccc(CCCC(=O)N3CCSCC3)cc2)=C(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FKBP1A P62942 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAOA P21397 1/20 0.38
TBXA2R P21731 1/20 0.38
MAPK1 P28482 1/20 0.38
AVPR2 P30518 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
HTT P42858 1/20 0.38
PDE3A Q14432 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
SCHEMBL5710758 0.94 FKBP1A (0.45) NPC1FKBP1ALMNAHTTTDP1
SCHEMBL5731294 0.91 AR (0.39) ARNPC1RAB9ALMNAPGR
SCHEMBL5730457 0.89 NPC1 (0.43) ARNPC1RAB9ATDP1
SCHEMBL5731671 0.88 FKBP1A (0.54) FKBP1ACYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5730598 0.87 SMN1; SMN2 (0.47) LMNAMAPTPKML3MBTL1SIGMAR1
SCHEMBL10514561 0.87 MAPT (0.50) ARNPC1RAB9ALMNAPGR
SCHEMBL5731389 0.84 L3MBTL1 (0.41) NPC1FKBP1ACASP3CASP7LMNA
SCHEMBL5730987 0.83 NPC1 (0.51) NPC1FKBP1ALMNATDP1
SCHEMBL5731269 0.83 HPGD (0.51) PKM
SCHEMBL5731443 0.82 KMT2A (0.41) CASP3CASP7LMNAPGRCYP3A4

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 AR 2107/4885NPC1 1129/4885RAB9A 3016/4885

“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.