SCHEMBL1991697

SCHEMBL1991697

CCOC(=O)COc1ccc(Br)cc1CN(C)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 7/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
CASP6 P55212 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL13903612 0.83 PTGDR2 (0.67) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL13903614 0.82 PTGDR2 (0.50) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL16559854 0.80 ALDH1A1 (0.55) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL8422011 0.79 L3MBTL1 (0.50) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL4517104 0.78 MEN1 (0.57) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL1991699 0.78 ALDH1A1 (0.50) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL1853131 0.78 PTGDR2 (0.53) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL27642138 0.77 ALDH1A1 (0.52) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL5106323 0.76 ALDH1A1 (0.65) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL27623122 0.76 POLB (0.51) POLBPABPC1APOBEC3AAPOBEC3GPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 POLB 4812/4885PABPC1 3495/4885APOBEC3A 4586/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 POLB 4828/4885PABPC1 3108/4885APOBEC3A 4591/4885

“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.