SCHEMBL2141682

SCHEMBL2141682

CCOC(=O)CCC(C)(C)CCCCCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 3/20 0.42
TRPA1 O75762 1/20 0.42
GAA P10253 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
DGKA P23743 1/20 0.38
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL26711439 0.93 CYP1A2 (0.48) CYP1A2ALDH1A1TRPA1GAACYP4F2
SCHEMBL19861519 0.86 DGKA (0.48) CYP1A2ALDH1A1GAACYP4F2CYP4A11
SCHEMBL2139219 0.85 CYP4F2 (0.57) CYP1A2ALDH1A1TRPA1GAACYP4F2
SCHEMBL12101079 0.83 CYP1A2 (0.42) CYP1A2ALDH1A1TRPA1GAACYP4F2
SCHEMBL26711233 0.83 ALDH1A1 (0.45) CYP1A2ALDH1A1TRPA1GAACYP4F2
SCHEMBL19861446 0.83 DGKA (0.53) CYP1A2ALDH1A1GAACYP4F2CYP4A11
SCHEMBL21015257 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1GAACYP4F2CYP4A11
SCHEMBL24597734 0.82 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1GAACYP4F2
SCHEMBL47126 0.82 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1GAACYP4F2
SCHEMBL3862786 0.82 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1GAACYP4F2

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 16 patents. 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-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-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US 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 (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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 CYP1A2 40/4885ALDH1A1 155/4885TRPA1 1063/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CYP1A2 52/4885ALDH1A1 102/4885TRPA1 719/4885

“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.