SCHEMBL1991699

SCHEMBL1991699

CCOC(=O)CNCc1cc(Br)ccc1OCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.49
GAA P10253 1/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 3/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR5 P51681 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL12607507 0.85 MAPK1 (0.44) ALDH1A1GAAKMT2AMAPTHPGD
SCHEMBL13903612 0.83 PTGDR2 (0.67) ALDH1A1LMNAPTGDR2KMT2AMAPT
SCHEMBL13903614 0.82 PTGDR2 (0.50) ALDH1A1LMNAPTGDR2GAAKMT2A
SCHEMBL12159945 0.82 USP2 (0.51) ALDH1A1LMNAMAPTHPGDPOLB
SCHEMBL16559854 0.80 ALDH1A1 (0.55) ALDH1A1LMNAPTGDR2GAAKMT2A
SCHEMBL8422011 0.79 L3MBTL1 (0.50) ALDH1A1LMNAPTGDR2KMT2AMAPT
SCHEMBL4517104 0.78 MEN1 (0.57) ALDH1A1LMNAPTGDR2KMT2AMAPT
SCHEMBL1991697 0.78 POLB (0.46) ALDH1A1LMNAPTGDR2GAAKMT2A
SCHEMBL1853131 0.78 PTGDR2 (0.53) ALDH1A1LMNAPTGDR2KMT2AHPGD
SCHEMBL27642138 0.77 ALDH1A1 (0.52) ALDH1A1LMNAPTGDR2GAAKMT2A

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 12 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-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
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
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 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
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US 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 ALDH1A1 532/4885LMNA 4231/4885PTGDR2 70/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 ALDH1A1 505/4885LMNA 4245/4885PTGDR2 61/4885

“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.