SCHEMBL1245777

SCHEMBL1245777

O=Cc1ccc(Cl)c(CCO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
VCAM1 P19320 1/20 0.43
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A3 P47895 3/20 0.39
ALDH3A1 P30838 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TTR P02766 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
ALDH5A1 P51649 3/20 0.34
ABAT P80404 3/20 0.34
CYP2A6 P11509 1/20 0.34
PTGER4 P35408 1/20 0.34
LMNA P02545 1/20 0.33
AOX1 Q06278 1/20 0.33
TRIM24 O15164 1/20 0.33
HPGD P15428 1/20 0.33
TRIM33 Q9UPN9 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
SCHEMBL23405003 0.85 ALDH1A1 (0.53) ALDH1A1VCAM1KDM4EPTGS2RAB9A
SCHEMBL25371194 0.85 ALDH1A1 (0.57) ALDH1A1VCAM1KDM4EPTGS2RAB9A
SCHEMBL25688492 0.81 ALDH1A1 (0.53) ALDH1A1VCAM1KDM4EPTGS2RAB9A
SCHEMBL77574 0.79 RAB9A (0.41) ALDH1A1KDM4EPTGS2RAB9AALDH1A3
SCHEMBL670230 0.79 ALDH1A1 (0.59) ALDH1A1VCAM1KDM4EPTGS2RAB9A
SCHEMBL27830205 0.78 KDM4E (0.39) ALDH1A1KDM4EPTGS2RAB9ACYP1A2
Ethane SCHEMBL2154475 0.77 ALDH1A1 (0.57) ALDH1A1VCAM1KDM4EPTGS2RAB9A
SCHEMBL14143605 0.77 ALDH1A1 (0.57) ALDH1A1VCAM1KDM4EPTGS2RAB9A
SCHEMBL14616919 0.76 ALDH1A1 (0.52) ALDH1A1VCAM1KDM4EPTGS2RAB9A
SCHEMBL4510171 0.75 CYP3A4 (0.48) ALDH1A1HSD17B10TDP1HPGD

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 30 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-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-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 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 (4 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 264/4885VCAM1 1166/4885KDM4E 3165/4885
US-20120322788-A1 Compouds PKD1, SBDS, ABCB11 ALDH1A1 155/4885VCAM1 4528/4885KDM4E 3767/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 ALDH1A1 102/4885VCAM1 3455/4885KDM4E 3670/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 ALDH1A1 264/4885VCAM1 1166/4885KDM4E 3165/4885

“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.