SCHEMBL4124527

SCHEMBL4124527

O=C(O)COc1cc(C(=O)Cl)on1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.41
ADORA2B P29275 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MCL1 Q07820 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PTPN7 P35236 1/20 0.33

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
SCHEMBL4134852 0.86 HCAR2 (0.47) SMPD1ADORA2BKMT2AMEN1MCL1
SCHEMBL4132115 0.81 SMPD1 (0.48) SMPD1HTT
SCHEMBL4758485 0.81 SMPD1 (0.45) SMPD1ADORA2BKMT2AMEN1MCL1
SCHEMBL10519525 0.80 SMPD1 (0.60) SMPD1KMT2AMEN1
SCHEMBL8846694 0.76 L3MBTL1 (0.56) ADORA2BKMT2AMCL1PKML3MBTL1
SCHEMBL1190827 0.75 CHRNA4 (0.50) SMPD1KMT2AMEN1TDP1
SCHEMBL32691169 0.73 ADORA2B (0.40) ADORA2BKMT2AMEN1MCL1PKM
SCHEMBL8846987 0.71 ALDH1A1 (0.54) SMPD1ADORA2BKMT2AMEN1PKM
SCHEMBL5496655 0.71 SMN1; SMN2 (0.42) SMPD1
SCHEMBL2722839 0.69 HCAR2 (0.52) SMPD1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMPD1 1524/4885ADORA2B 383/4885KMT2A 4216/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMPD1 1524/4885ADORA2B 383/4885KMT2A 4216/4885

“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.