SCHEMBL3428859

SCHEMBL3428859

CC(C)(O)C(C)(Cc1cccc(C=O)c1)OB(O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
UNG P13051 1/20 0.33
SRC P12931 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.31
NAT1 P18440 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
FFAR1 O14842 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL30954279 0.78 MAOA (0.41) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2636655 0.78 MAOA (0.42) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2981955 0.76 ESR1 (0.38) ALDH1A1
SCHEMBL3645563 0.76 MAOA (0.46) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL6841543 0.72 ALDH1A1 (0.41) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL25949907 0.71 SLC6A2 (0.52) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL13509648 0.70 MAOA (0.41) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL28004940 0.69 CTSK (0.41) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL1519405 0.69 FDPS (0.41) RAB9AALDH1A1
SCHEMBL16334979 0.69 HMGCR (0.43) MAOAMAOBNPC1RAB9ATDP1

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
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B MAOA 72/4885MAOB 134/4885NPC1 3456/4885

“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.