SCHEMBL4129101

SCHEMBL4129101

C=Cc1ccc(C(=O)OC)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 2/20 0.47
ERN1 O75460 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 4/20 0.45
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 6/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 2/20 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
SCHEMBL4129229 0.87 ERN1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL1765681 0.85 ERN1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL9306201 0.85 CA12 (0.49) CA1CA2CA12CA7CA9
SCHEMBL30437722 0.85 ERN1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL9389741 0.82 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL25333226 0.81 KDM4E (0.46) CA1CA2CA12CA7CA9
SCHEMBL879847 0.81 ALDH1A1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL5485053 0.81 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL15563640 0.81 CA1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL29732495 0.81 CA1 (0.62) CA1CA2CA12CA7CA9

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 5 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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CA1 4516/4885CA2 2821/4885CA12 4392/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CA1 4516/4885CA2 2821/4885CA12 4392/4885

“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.