SCHEMBL1246024

SCHEMBL1246024

O=CCOc1cccc(CCO)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.61
CYP4A11 Q02928 3/20 0.61
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL29952223 0.86 TSHR (0.53) CYP4F2CYP4A11CHRM2CHRM1CHRM3
Phenylethyl Alcohol SCHEMBL28230089 0.85 TDP1 (0.55) CYP4F2CYP4A11TDP1
SCHEMBL15432648 0.83 CYP4F2 (0.61) CYP4F2CYP4A11PPARDSMN1; SMN2TDP1
SCHEMBL2559404 0.79 SOD1 (0.51) CHRM2CHRM1CHRM3MAOAMAOB
SCHEMBL12482566 0.79 NOS1 (0.48) CHRM2CHRM1CHRM3MAOAMAOB
SCHEMBL14241526 0.79 MAOB (0.42) CHRM2CHRM1CHRM3PPARDMAOA
SCHEMBL1244893 0.79 PPARA (0.45) CYP4F2CYP4A11PPARDPPARATSHR
SCHEMBL10334435 0.79 CYP4F2 (0.69) CYP4F2CYP4A11PPARAPPARGTSHR
SCHEMBL13357758 0.78 PPARD (0.47) PPARDKDM4ENPC1RAB9A
SCHEMBL8045887 0.77 CYP4F2 (0.67) CYP4F2CYP4A11CHRM2CHRM1CHRM3

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 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-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-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
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 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 (3 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 CYP4F2 874/4885CYP4A11 252/4885CHRM2 157/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CYP4F2 69/4885CYP4A11 37/4885CHRM2 2419/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CYP4F2 874/4885CYP4A11 252/4885CHRM2 157/4885

“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.