SCHEMBL6804996

SCHEMBL6804996

CCOC(=O)CC(C)(Cc1ccccc1)Cc1ccc(OCCCNc2cccc[n+]2[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.48
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7013799 0.83 LTA4H (0.39) LTA4HMAPTKDM4EMEN1KMT2A
SCHEMBL6809721 0.82 LTA4H (0.40) LTA4HMAPTL3MBTL1KDM4EMITF
SCHEMBL6800874 0.80 ITGB3 (0.56) LTA4H
SCHEMBL7524219 0.79 ITGB3 (0.52) LTA4HMAPTL3MBTL1
SCHEMBL7524212 0.79 ITGB3 (0.52) LTA4HMAPTL3MBTL1
SCHEMBL6806312 0.77 S1PR2 (0.35) LTA4HKDM4EMITFKMT2A
SCHEMBL6774096 0.74 LTA4H (0.41) LTA4HL3MBTL1KDM4EGAAPPARG
SCHEMBL6175356 0.73 ITGB3 (0.64) LTA4HKDM4EPPARGPPARDPPARA
SCHEMBL6803939 0.73 MMP1 (0.47) LTA4HMAPTKDM4EMEN1KMT2A
SCHEMBL7260047 0.72 ITGB3 (0.54) LTA4HKDM4EPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043994-A1 Gem-substituted alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
EP-1313705-A1 GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS Pharmacia Corporation (US) 2003-05-28 EP disclosed
US-6531494-B1 Gem-substituted αvβ3 antagonists PHARMACIA CORPORATION 2003-03-11 US disclosed
WO-2002018340-A1 GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists CACNG5, ITGAV, ITGA5 LTA4H 1598/4885MAPT 4222/4885L3MBTL1 3222/4885

“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.