SCHEMBL232932

SCHEMBL232932

CCOC(=O)CCc1cc2ccccn2c1CC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TBXAS1 P24557 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4635494 0.83 L3MBTL1 (0.59) L3MBTL1HTTATMLMNAALDH1A1
SCHEMBL8123430 0.79 L3MBTL1 (0.54) CYP4F2CYP4A11L3MBTL1HTTATM
SCHEMBL235585 0.76 KEAP1 (0.40) L3MBTL1HTTATMALDH1A1KDM4E
SCHEMBL69660 0.73 CYP4F2 (0.86) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL8124398 0.72 L3MBTL1 (0.66) L3MBTL1HTTATMLMNAALDH1A1
SCHEMBL8127371 0.70 TBXAS1 (0.55) CYP4F2CYP4A11L3MBTL1HTTATM
SCHEMBL230884 0.70 CYP4F2 (0.49) CYP4F2CYP4A11L3MBTL1HTTATM
SCHEMBL28008696 0.70 CYP4F2 (0.81) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL13948404 0.69 CYP4F2 (0.73) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL2593688 0.69 L3MBTL1 (0.45) L3MBTL1HTTATMALDH1A1GAA

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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 WO disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP4F2 1123/4885CYP4A11 661/4885L3MBTL1 4241/4885

“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.