SCHEMBL3603141

SCHEMBL3603141

COc1ccc(Br)cc1OC1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.52
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4A P27815 2/20 0.40
SLC6A4 P31645 2/20 0.39
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SLC6A2 P23975 1/20 0.38
PTPN1 P18031 2/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL30601751 0.96 PDE4B (0.48) PDE4BKMT2ARXFP1KDM4ETDP1
SCHEMBL28897169 0.96 PDE4B (0.48) PDE4BKMT2ARXFP1KDM4ETDP1
SCHEMBL30124787 0.96 PDE4B (0.48) PDE4BKMT2ARXFP1KDM4ETDP1
SCHEMBL2891959 0.90 PDE4B (0.43) PDE4BKMT2ARXFP1KDM4ETDP1
SCHEMBL16518352 0.83 ALDH1A1 (0.44) PDE4BKMT2ATDP1PTPN1ALDH1A1
SCHEMBL1157231 0.82 PDE4B (0.52) PDE4BKDM4EPDE4APDE4CPDE4D
SCHEMBL27404540 0.81 MAPK1 (0.38) PDE4BKMT2ATDP1SLC6A4PTPN1
SCHEMBL30751591 0.80 PDE4B (0.50) PDE4BTDP1PDE4ASLC6A4PDE4C
SCHEMBL7710644 0.79 NPY1R (0.39) PDE4BPTPN1HPGD
SCHEMBL3594038 0.79 PDE4B (0.64) PDE4BKDM4ETDP1PDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US 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 (6 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885KMT2A 1669/4885RXFP1 80/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885KMT2A 1669/4885RXFP1 80/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885KMT2A 1669/4885RXFP1 80/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885KMT2A 1669/4885RXFP1 80/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885KMT2A 1669/4885RXFP1 80/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885KMT2A 1669/4885RXFP1 80/4885

“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.