SCHEMBL2464504

SCHEMBL2464504

COc1ccc(Cc2noc(-c3cc(Br)ccc3OCC(=O)O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NMT1 P30419 4/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTGDR2 Q9Y5Y4 6/20 0.46
HPGD P15428 2/20 0.45
PSMB5 P28074 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PTPN1 P18031 1/20 0.43
PTGER1 P34995 1/20 0.41
PPARD Q03181 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
SCHEMBL2465338 0.92 NMT1 (0.47) MAPTMAPK1L3MBTL1NMT1LMNA
SCHEMBL2462176 0.90 LMNA (0.59) MAPTL3MBTL1NMT1LMNASMN1; SMN2
SCHEMBL2463039 0.90 PTGDR2 (0.47) MAPTMAPK1L3MBTL1NMT1LMNA
SCHEMBL2466984 0.90 NMT1 (0.57) NMT1LMNASMN1; SMN2PTGDR2HPGD
SCHEMBL1996328 0.89 PTGDR2 (0.56) MAPK1L3MBTL1NMT1LMNASMN1; SMN2
SCHEMBL1993270 0.88 ALDH1A1 (0.51) MAPK1L3MBTL1NMT1PTGDR2HPGD
SCHEMBL1995885 0.88 PTGDR2 (0.47) NMT1LMNASMN1; SMN2PTGDR2PTGER1
SCHEMBL2465347 0.88 PPARD (0.43) NMT1PTGDR2PSMB5PTGER1PPARD
SCHEMBL2465896 0.86 HTR1A (0.46) MAPTLMNASMN1; SMN2PTGDR2HPGD
SCHEMBL1993782 0.85 TP53 (0.56) MAPTLMNASMN1; SMN2PTGDR2HPGD

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 11 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
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 MAPT 4672/4885MAPK1 1805/4885L3MBTL1 2606/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 MAPT 4755/4885MAPK1 1317/4885L3MBTL1 2813/4885

“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.