SCHEMBL6238433

SCHEMBL6238433

COc1ccc2[nH]c(=O)oc(=O)c2c1CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.43
AR P10275 3/20 0.36
GLRA3 O75311 1/20 0.36
GLRA1 P23415 1/20 0.36
GLRB P48167 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ACHE P22303 2/20 0.35
SMPD1 P17405 1/20 0.35
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
MAP1LC3A Q9H492 1/20 0.33
AAK1 Q2M2I8 2/20 0.33

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
SCHEMBL17501698 0.77 KDM4E (0.46) ARMAOAMAOBALDH1A1GAA
SCHEMBL17501700 0.75 MAOA (0.46) ARMAOAMAOBACHEMEN1
SCHEMBL1319411 0.75 AR (0.44) ARMAOAMAOBALDH1A1NQO2
SCHEMBL5265332 0.73 F2 (0.41) HCAR2ACHEALDH1A1SORT1
SCHEMBL1559364 0.70 ABCG2 (0.54) ARMAOAMEN1ALDH1A1GAA
SCHEMBL6208387 0.68 HCAR2 (0.44) HCAR2MAOAMAOBACHESMN1; SMN2
SCHEMBL30632422 0.68 PDE4D (0.67) PDE4DALDH1A1
SCHEMBL17242697 0.67 NQO2 (0.51) ARMAOAMEN1ALDH1A1GAA
SCHEMBL4490244 0.66 AR (0.45) ARMAOAMAOBMEN1GAA
SCHEMBL27248587 0.66 ELANE (0.42) ARMAOAMAOBACHEALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 PDE4D 3157/4885AR 4779/4885GLRA3 4037/4885

“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.