SCHEMBL4460934

SCHEMBL4460934

CCCCC(=CBr)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.50
CES2 O00748 5/20 0.44
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.39
AKR1B1 P15121 1/20 0.36
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
GPR84 Q9NQS5 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL4460931 1.00 CES1 (0.50) CES1CES2ALDH1A1TP53CA1
SCHEMBL4453613 0.91 CES2 (0.48) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL4453612 0.91 CES2 (0.48) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL4458032 0.91 CES2 (0.48) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL4452638 0.91 CES2 (0.48) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL4458027 0.91 CES2 (0.48) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL4458025 0.91 CES2 (0.48) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL13936169 0.86
SCHEMBL4452114 0.86
SCHEMBL4452110 0.86

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048461-A1 Regulators of Bacterial Signalling Pathways BIOSIGNAL LIMITED (AU) 2009-02-19 US disclosed
EP-1765755-A4 REGULATORS OF BACTERIAL SIGNALLING PATHWAYS BIOSIGNAL LTD (AU) 2008-05-21 EP disclosed
EP-1765755-A1 REGULATORS OF BACTERIAL SIGNALLING PATHWAYS Biosignal Limited (AU) 2007-03-28 EP disclosed
WO-2005123645-A1 REGULATORS OF BACTERIAL SIGNALLING PATHWAYS BIOSIGNAL LIMITED (AU) 2005-12-29 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 (1 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-20090048461-A1 Regulators of Bacterial Signalling Pathways MRPL21, FNTB, ATF1 CES1 4367/4885CES2 4511/4885ALDH1A1 4794/4885

“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.