SCHEMBL1247063

SCHEMBL1247063

Cc1cc(CBr)cc(CCO)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BACE1 P56817 1/20 0.34
CA2 P00918 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
TNKS2 Q9H2K2 1/20 0.32
TKT P29401 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
SCHEMBL31337516 0.89 TDP1 (0.42) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL6418650 0.89 PGK1 (0.44) PGK1PGK2TDP1KDM4EALDH1A1
SCHEMBL7429249 0.84 TDP1 (0.42) PGK1PGK2TDP1KDM4EALDH1A1
SCHEMBL2261460 0.83 PGK1 (0.42) PGK1PGK2ALDH1A1
SCHEMBL31337562 0.80 TDP1 (0.36) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL1247139 0.78 TDP1 (0.34) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL16962202 0.78 TACR1 (0.38) PGK1PGK2TDP1KDM4EALDH1A1
SCHEMBL1246772 0.78 TDP1 (0.34) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL502038 0.78 ALDH1A1 (0.40) PGK1PGK2ALDH1A1
SCHEMBL31337521 0.78 CALM1 (0.43) ALDH1A1TNKS2

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 PGK1 2972/4885PGK2 2382/4885TDP1 4658/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 PGK1 2972/4885PGK2 2382/4885TDP1 4658/4885

“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.