SCHEMBL1245987

SCHEMBL1245987

OCCc1cc(CO)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
TTR P02766 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
CA2 P00918 1/20 0.37
PNMT P11086 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 2/20 0.35
S1PR1 P21453 3/20 0.34
TDP1 Q9NUW8 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
SCHEMBL31621229 0.85 RECQL (0.43) RECQLTTRKDM4EPNMTTAAR1
SCHEMBL1244867 0.83 KDM4E (0.47) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL18982153 0.79 RECQL (0.39) RECQLTTRMAPTPNMTTAAR1
SCHEMBL1560923 0.78 CYP3A4 (0.45) ALDH1A1MAPTALOX15HPGDSMN1; SMN2
SCHEMBL4510171 0.75 CYP3A4 (0.48) RECQLALDH1A1MAPTCA2PNMT
SCHEMBL21821384 0.75 KDM4E (0.38) RECQLKDM4EALDH1A1ALOX5GAA
SCHEMBL16961564 0.75 SLC6A4 (0.37) KDM4EALDH1A1MAPTHPGDSLC6A4
SCHEMBL19774001 0.75 FFAR1 (0.40) ALDH1A1GAAMAPTTAAR1HPGD
SCHEMBL30808275 0.75 KDM4E (0.38) RECQLKDM4EALDH1A1ALOX5GAA
SCHEMBL29673143 0.75 SLC6A4 (0.37) KDM4EALDH1A1MAPTHPGDSLC6A4

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 34 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 RECQL 3160/4885TTR 2332/4885KDM4E 3165/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 RECQL 1642/4885TTR 619/4885KDM4E 3670/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 RECQL 3160/4885TTR 2332/4885KDM4E 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.