SCHEMBL6525329

SCHEMBL6525329

COCCCNCC(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 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
SCHEMBL1766098 0.86 L3MBTL1 (0.36) ALDH1A1KDM4ETSHRRECQLHTT
SCHEMBL12801251 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AGAATSHRMAPK1
SCHEMBL29185385 0.80 MAPK1 (0.39) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL27838365 0.80 KDM4E (0.40) ALDH1A1KDM4EKMT2ARECQLL3MBTL1
SCHEMBL6055711 0.79 TSHR (0.46) ALDH1A1KMT2ATSHRCYP2C19MEN1
SCHEMBL14707752 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL9407551 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL27957938 0.77 PAOX (0.32)
SCHEMBL19744179 0.77 CA12 (0.46) ALDH1A1KDM4EKMT2ATSHRCYP1A2
SCHEMBL4159314 0.77 MAPK1 (0.48) ALDH1A1KDM4EKMT2AGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102625808-B Spirocyclic amide derivatives ASTRAZENECA AB 2014-08-27 CN disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 ALDH1A1 264/4885KDM4E 3165/4885KMT2A 2392/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 ALDH1A1 264/4885KDM4E 3165/4885KMT2A 2392/4885

“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.