SCHEMBL5368946

SCHEMBL5368946

COc1ccc(C=C(C)C(C)=O)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.53
▸ CTSL P07711 3/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TUBB1 Q9H4B7 5/20 0.51
▸ HPGD P15428 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TUBB4A P04350 2/20 0.49
▸ TUBB P07437 2/20 0.49
▸ TUBA3C P0DPH7 2/20 0.49
▸ TUBA1B P68363 2/20 0.49
▸ TUBA4A P68366 2/20 0.49
▸ TUBB4B P68371 2/20 0.49
▸ TUBB3 Q13509 2/20 0.49
▸ TUBB2A Q13885 2/20 0.49
▸ TUBB8 Q3ZCM7 2/20 0.49

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
SCHEMBL5368941 1.00 GAA (0.57) GAATDP1ALDH1A1CTSLRECQL
SCHEMBL12369716 0.80 MAPT (0.77) GAATDP1ALDH1A1HPGDMAPT
SCHEMBL8387154 0.78 EGFR (0.55) GAATDP1ALDH1A1CTSLRECQL
SCHEMBL8387159 0.78 EGFR (0.55) GAATDP1ALDH1A1CTSLRECQL
SCHEMBL15210442 0.78 ALDH1A1 (0.54) GAATDP1ALDH1A1CTSLRECQL
SCHEMBL2389154 0.77 PSEN1 (0.51) GAATDP1ALDH1A1CTSLRECQL
SCHEMBL155784 0.77 ALDH1A1 (0.68) TDP1ALDH1A1CTSLRECQLTUBB1
SCHEMBL16953654 0.77 TUBB1 (0.59) GAAALDH1A1CTSLRECQLTUBB1
SCHEMBL29723752 0.77 ALDH1A1 (0.68) TDP1ALDH1A1CTSLRECQLTUBB1
SCHEMBL4188465 0.75 KDM4E (0.73) GAAALDH1A1CTSLRECQLTUBB1

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 12 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
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 GAA 395/4885TDP1 61/4885ALDH1A1 1554/4885
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A GAA 395/4885TDP1 61/4885ALDH1A1 1554/4885
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A GAA 395/4885TDP1 61/4885ALDH1A1 1554/4885

“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.

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