SCHEMBL1021341

SCHEMBL1021341

CCCCC1=C(c2ccc(OC)c(F)c2)C(=NO)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.47
CYP17A1 P05093 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.35
PDE4B Q07343 1/20 0.35
ERN1 O75460 1/20 0.34
NAAA Q02083 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL1021340 1.00 MGLL (0.47) MGLLCYP17A1PTGS2PTGS1PDE4B
SCHEMBL1020444 0.89 CNR1 (0.40) MGLLPTGS2PTGS1PDE4B
SCHEMBL1020445 0.89 CNR1 (0.40) MGLLPTGS2PTGS1PDE4B
SCHEMBL1021271 0.87 GCGR (0.36) MGLLPTGS2PTGS1CYP3A4
SCHEMBL1021272 0.87 GCGR (0.36) MGLLPTGS2PTGS1CYP3A4
SCHEMBL1021072 0.84 MGLL (0.46) MGLLCYP17A1
SCHEMBL1021071 0.84 MGLL (0.46) MGLLCYP17A1
SCHEMBL1019259 0.83 GCGR (0.40) MGLLPTGS2PTGS1CYP3A4
SCHEMBL1019258 0.83 GCGR (0.40) MGLLPTGS2PTGS1CYP3A4
SCHEMBL1021898 0.82 MGLL (0.41) MGLLCYP17A1PTGS2PTGS1ERN1

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
US-8013187-B2 2-cyclopenten-1-one oxime derivatives inhibiting production of TNF-α AMOREPACIFIC CORPORATION (KR) 2011-09-06 US claimed
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha AMOREPACIFIC CORPORATION (KR) 2009-02-05 US claimed
EP-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP claimed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 WO claimed
US-8013187-B2 2-cyclopenten-1-one oxime derivatives inhibiting production of TNF-α AMOREPACIFIC CORPORATION (KR) 2011-09-06 US disclosed
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP disclosed
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha AMOREPACIFIC CORPORATION (KR) 2009-02-05 US disclosed
EP-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP disclosed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 WO 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-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha TNF, PDE4A, PDE3B MGLL 3774/4885CYP17A1 165/4885PTGS2 27/4885

“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.