SCHEMBL5437580

SCHEMBL5437580

CC(=O)OCc1cccc(CCBr)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 1/20 0.46
IDH1 O75874 1/20 0.43
MIF P14174 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PRKDC P78527 1/20 0.39
MAOB P27338 2/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6709375 0.88 ALDH1A1 (0.73) ALDH1A1CYP3A4IDH1MIFHCAR2
SCHEMBL27637244 0.87 ALDH1A1 (0.44) ALDH1A1HCAR2TDP1
SCHEMBL990642 0.86 ALDH1A1 (0.61) ALDH1A1CYP3A4IDH1MIFHCAR2
SCHEMBL31160231 0.86 ALDH1A1 (0.61) ALDH1A1CYP3A4IDH1MIFHCAR2
SCHEMBL5430015 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4IDH1MIFTDP1
SCHEMBL22678650 0.85 ALDH1A1 (0.70) ALDH1A1CYP3A4IDH1TDP1MAOB
SCHEMBL6696949 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL27654043 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4IDH1TDP1MAOB
SCHEMBL7671543 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL7671540 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374841-A Spiroimidazole Derivatives as PPAR Modulators IRM LLC (BM) 2009-02-25 CN disclosed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO disclosed
CN-1241176-A Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER (US) 2000-01-12 CN 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-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 ALDH1A1 1056/4885CYP3A4 326/4885IDH1 4709/4885

“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.