SCHEMBL4211931

SCHEMBL4211931

COC(=O)c1ccccc1OC[C@@H]1CO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GLA P06280 1/20 0.58
TSHR P16473 2/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
SLC6A3 Q01959 1/20 0.48
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
HSP90AA1 P07900 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
VDR P11473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL6216333 1.00 ALDH1A1 (0.58) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL10936580 0.87 ALDH1A1 (0.55) ALDH1A1GLATSHRHTTTDP1
SCHEMBL25279086 0.86 ALDH1A1 (0.49) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL10602219 0.86 ALDH1A1 (0.59) ALDH1A1GLATSHRNPSR1TDP1
SCHEMBL3810478 0.85 ALDH1A1 (0.58) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL8069122 0.85 ALDH1A1 (0.54) ALDH1A1GLATSHRKMT2ATDP1
SCHEMBL4218019 0.85 ALDH1A1 (0.58) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL7281360 0.85 ALDH1A1 (0.61) ALDH1A1GLATSHRMAPTHTT
SCHEMBL4309017 0.85 ALDH1A1 (0.51) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL4312278 0.85 ALDH1A1 (0.51) ALDH1A1GLATSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 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 (2 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1465/4885GLA 3309/4885TSHR 68/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1375/4885GLA 3218/4885TSHR 47/4885

“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.