SCHEMBL1246050

SCHEMBL1246050

O=Cc1cccc(SCCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
UNG P13051 1/20 0.40
ALDH1A1 P00352 7/20 0.39
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
SRC P12931 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL1246027 0.90 UNG (0.42) CA2UNGALDH1A1HPGDMAPT
SCHEMBL1710647 0.83 ALDH1A1 (0.41) UNGALDH1A1HPGDMAPTL3MBTL1
SCHEMBL11431899 0.81 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL11443820 0.81 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL11443833 0.81 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL10497865 0.81 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL11429530 0.81 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL11430039 0.81 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL11431849 0.81 THRB (0.40) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL1710646 0.80 MAOB (0.44) CA2ALDH1A1MAOAMAOBHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP 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
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 CA2 1251/4885UNG 4820/4885ALDH1A1 264/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CA2 1251/4885UNG 4820/4885ALDH1A1 264/4885

“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.