SCHEMBL4346182

SCHEMBL4346182

CC1(COc2cc(F)ccc2[N+](=O)[O-])COC(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
FAAH O00519 2/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
MAPK1 P28482 1/20 0.37
HSPB1 P04792 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL5127613 1.00 ALDH1A1 (0.47) ALDH1A1MAPTTDP1PKMSMN1; SMN2
SCHEMBL3204875 0.90 ALDH1A1 (0.50) ALDH1A1MAPTTDP1PKMSMN1; SMN2
SCHEMBL4336371 0.86 TSHR (0.39) ALDH1A1MAPTTDP1PKMSMN1; SMN2
SCHEMBL4335626 0.86 MAPT (0.37) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5117607 0.86 MAPT (0.37) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL4189589 0.86 MAPT (0.37) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL4339715 0.81 MAPT (0.34) ALDH1A1MAPTPKMSMN1; SMN2HTT
SCHEMBL4189177 0.77 DPP4 (0.34) ALDH1A1MAPTTDP1PKMSMN1; SMN2
SCHEMBL27767917 0.77 ALDH1A1 (0.45) ALDH1A1MAPTTDP1PKMSMN1; SMN2
SCHEMBL3200327 0.75 MAPT (0.40) ALDH1A1MAPTTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP claimed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US claimed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
EP-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 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-20080064884-A1 Novel Process 1 TPX2, UGT1A1, BRIX1 ALDH1A1 294/4885MAPT 4422/4885TDP1 1502/4885

“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.