SCHEMBL4627690

SCHEMBL4627690

O=C(O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)ccc1OCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
PTGDR2 Q9Y5Y4 15/20 0.65
MAPT P10636 1/20 0.64
TSHR P16473 2/20 0.62
PTGDR Q13258 5/20 0.57
PTGER2 P43116 1/20 0.55
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.52

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
SCHEMBL9209426 0.91 TDP1 (0.62) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL4143335 0.90 TDP1 (0.70) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL14419307 0.89 TDP1 (0.60) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL8398940 0.89 PTGDR2 (0.70) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL14419542 0.87 PTGDR2 (0.59) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL22777296 0.87 TDP1 (0.66) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL3691062 0.87 PTGDR2 (0.68) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL14419283 0.87 PTGDR2 (0.61) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL14419539 0.85 PTGDR2 (0.69) TDP1PTGDR2MAPTTSHR
SCHEMBL14419229 0.85 PTGDR2 (0.57) TDP1PTGDR2MAPTTSHRPTGDR

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-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US claimed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP claimed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 WO claimed
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US disclosed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 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 (1 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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 TDP1 4717/4885PTGDR2 49/4885MAPT 4232/4885

“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.