SCHEMBL4885770

SCHEMBL4885770

CC(C)(C)c1ccc(C(=CC#N)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.50
PDE4B Q07343 11/20 0.50
PDE4C Q08493 11/20 0.50
PDE4D Q08499 11/20 0.50
HDAC1 Q13547 1/20 0.42
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HIF1A Q16665 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL23869688 0.82 HDAC1 (0.41) HDAC1KIF11ALDH1A1MAPTMEN1
SCHEMBL29483463 0.81 MAPT (0.42) HDAC1KIF11ALDH1A1MAPTMEN1
SCHEMBL11077132 0.81 RECQL (0.59) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL11077135 0.81 RECQL (0.59) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL14189755 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL26568181 0.77 MAPT (0.37) HDAC1KIF11ALDH1A1MAPTMEN1
SCHEMBL8999111 0.77 CYP1A1 (0.48) PDE4APDE4BPDE4CPDE4DKIF11
SCHEMBL8999105 0.77 CYP1A1 (0.48) PDE4APDE4BPDE4CPDE4DKIF11
SCHEMBL7231328 0.72 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4927520 0.72 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293722-A1 Ion Channel Modulators WYETH (US) 2008-11-27 US disclosed
US-20080293722-A1 Ion Channel Modulators WYETH (US) 2008-11-27 US disclosed
US-20080293722-A1 Ion Channel Modulators WYETH (US) 2008-11-27 US disclosed
EP-1725523-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2007-10-10 EP disclosed
EP-1725523-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-29 EP disclosed
WO-2005090291-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-29 WO disclosed
WO-2005090291-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-29 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-20080293722-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 PDE4A 1012/4885PDE4B 1094/4885PDE4C 980/4885

“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.