SCHEMBL5350800

SCHEMBL5350800

COc1ccc(/C=C(\C)C(C)=O)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
APP P05067 5/20 0.56
SMPD1 P17405 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 3/20 0.54
MAPT P10636 1/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
LMNA P02545 1/20 0.53
AMY1A P0DUB6 1/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GSK3B P49841 1/20 0.52

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
SCHEMBL7354893 1.00 ALDH1A1 (0.58) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL5350808 1.00 ALDH1A1 (0.58) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL5362058 0.92 ALDH1A1 (0.58) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL5362060 0.92 ALDH1A1 (0.58) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL7356814 0.92 ALDH1A1 (0.58) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL5362330 0.90 ALDH1A1 (0.56) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL7353009 0.90 ALDH1A1 (0.59) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL5362321 0.90 ALDH1A1 (0.56) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL7352994 0.90 ALDH1A1 (0.59) ALDH1A1HPGDL3MBTL1APPSMPD1
SCHEMBL5685665 0.87 APP (0.62) ALDH1A1HPGDAPPHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
EP-1242400-B1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2006-05-03 EP disclosed
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-04-06 US disclosed
US-6998416-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-02-14 US disclosed
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (A WASHINGTON CORPORATION) 2004-08-05 US disclosed
US-6716871-B2 OBESITY; INFLAMMATORY DISEASES, DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; 3-HYDROXYALKYL-4-DIALKOXYPHENYL-SUBSTITUTED PYRROLIDINES ICOS CORPORATION 2004-04-06 US disclosed
US-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION 2004-02-05 US disclosed
US-6458787-B1 NOVEL PYRROLIDINE COMPOUNDS THAT ARE POTENT AND SELECTIVE INHIBITORS OF PDE4, AS WELL AS METHODS OF MAKING THE SAME, ARE DISCLOSED. USE OF THE COMPOUNDS IN THE TREATMENT OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED ICOS CORPORATION 2002-10-01 US disclosed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP disclosed
US-6423710-B1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2002-07-23 US disclosed
US-6258833-B1 ENZYME INHIBITORS AND ANTIINFLAMMATORY AGENTS ICOS CORPORATION 2001-07-10 US disclosed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 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 (3 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-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE7A ALDH1A1 1554/4885HPGD 225/4885L3MBTL1 4275/4885
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1554/4885HPGD 225/4885L3MBTL1 4275/4885
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1554/4885HPGD 225/4885L3MBTL1 4275/4885

“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.