SCHEMBL1021749

SCHEMBL1021749

O=C1C=C(C2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.53
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTPN1 P18031 2/20 0.33
DAO P14920 2/20 0.33
MAPT P10636 2/20 0.32
PTPRC P08575 1/20 0.32
PTPRF P10586 1/20 0.32
CDC25B P30305 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
ESR2 Q92731 1/20 0.32
CEL P19835 1/20 0.31
MMP2 P08253 1/20 0.30

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
SCHEMBL1022576 0.98 TLR4 (0.52) TLR4MAOAMAOBPTPN1DAO
SCHEMBL9609547 0.86 TLR4 (0.50) TLR4MAOAMAOBPTPN1DAO
SCHEMBL5201714 0.86 TLR4 (0.55) TLR4MAOAMAOBPTPN1DAO
SCHEMBL11181948 0.84 TLR4 (0.47) TLR4MAOAMAOBMAPTALDH1A1
SCHEMBL7644421 0.82 TLR4 (0.50) TLR4MAOAMAOBPTPN1DAO
SCHEMBL7640330 0.80 TLR4 (0.48) TLR4MAOAMAOBPTPN1DAO
SCHEMBL7638703 0.80 TLR4 (0.48) TLR4MAOAMAOBPTPN1DAO
SCHEMBL7640959 0.80 TLR4 (0.48) TLR4MAOAMAOBPTPN1DAO
SCHEMBL7640144 0.80 TLR4 (0.48) TLR4MAOAMAOBPTPN1DAO
SCHEMBL7640433 0.80 TLR4 (0.48) TLR4MAOAMAOBPTPN1DAO

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 5 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 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 TLR4 780/4885MAOA 386/4885MAOB 485/4885

“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.