SCHEMBL2465338

SCHEMBL2465338

COc1cc(Cc2noc(-c3cc(Br)ccc3OCC(=O)O)n2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PSMB5 P28074 1/20 0.42
PTPN1 P18031 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2464504 0.92 MAPT (0.50) NMT1PTGDR2LMNASMN1; SMN2TSHR
SCHEMBL2466984 0.92 NMT1 (0.57) NMT1PTGDR2LMNASMN1; SMN2TSHR
SCHEMBL2462176 0.88 LMNA (0.59) NMT1PTGDR2LMNASMN1; SMN2TSHR
SCHEMBL1996328 0.87 PTGDR2 (0.56) NMT1PTGDR2LMNASMN1; SMN2HTT
SCHEMBL2466354 0.86 PTGDR2 (0.47) NMT1PTGDR2LMNASMN1; SMN2TSHR
SCHEMBL2463039 0.86 PTGDR2 (0.47) NMT1PTGDR2LMNASMN1; SMN2HPGD
SCHEMBL1993270 0.84 ALDH1A1 (0.51) NMT1PTGDR2TSHRHPGDHTT
SCHEMBL1995885 0.84 PTGDR2 (0.47) NMT1PTGDR2LMNASMN1; SMN2PRMT5
SCHEMBL2463724 0.83 ALDH1A1 (0.59) PTGDR2LMNASMN1; SMN2TSHRMEN1
SCHEMBL2467718 0.82 PTGDR2 (0.46) NMT1PTGDR2LMNASMN1; SMN2TSHR

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 NMT1 2818/4885PTGDR2 70/4885LMNA 4231/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 NMT1 2468/4885PTGDR2 61/4885LMNA 4245/4885

“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.