SCHEMBL1021820

SCHEMBL1021820

CCCCCC1=C(I)C(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
TYMP P19971 3/20 0.31
CYP1A2 P05177 2/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 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
SCHEMBL1022312 0.94 SCD (0.33) SCDESR1ESR2
SCHEMBL4199013 0.79 GAA (0.41) SCDACHEBACE1ALDH1A1TDP1
SCHEMBL7187409 0.79 SCD (0.40) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL2335039 0.77 SCD (0.46) SCDACHEALDH1A1LMNAHIF1A
SCHEMBL5392067 0.75
SCHEMBL9340336 0.74 SCD (0.50) SCDACHEALDH1A1LMNAHIF1A
SCHEMBL4441878 0.73 ALDH1A1 (0.39) SCDALDH1A1TDP1LMNAPOLB
SCHEMBL5390508 0.71 HTT (0.34) SCDALDH1A1CYP1A2ESR1ESR2
SCHEMBL11759188 0.71 SCD (0.36) SCDALDH1A1TDP1ALOX5GPR84
SCHEMBL2399155 0.71 ALDH1A1 (0.37) SCDACHEBACE1ALDH1A1TDP1

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 SCD 2664/4885ACHE 630/4885BACE1 1445/4885

“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.