SCHEMBL6800310

SCHEMBL6800310

CC(C)(CC(=O)O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.57
FFAR4 Q5NUL3 1/20 0.57
MAOB P27338 2/20 0.55
NR4A2 P43354 2/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
ALOX5 P09917 2/20 0.54
PPARG P37231 2/20 0.53
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PARP10 Q53GL7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL473504 0.84 CYP2C19 (0.53) FFAR1LMNACYP1A2SLC6A2CYP2C19
SCHEMBL7099922 0.82 PPARG (0.59) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL5326113 0.82 PPARG (0.59) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL2164933 0.81 PPARG (0.58) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL2164934 0.81 PPARG (0.58) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL21483725 0.80 PTGS1 (0.59) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL30787972 0.79 BLM (0.62) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL5390078 0.79 PPARG (0.57) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL9079869 0.79 BLM (0.62) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL9001028 0.79 BLM (0.62) FFAR1FFAR4MAOBNR4A2NR4A1

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 FFAR1 659/4885FFAR4 764/4885MAOB 4632/4885

“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.