SCHEMBL6800993

SCHEMBL6800993

CCOC(=O)CC(C)(Cc1ccccc1)Cc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
PPID Q08752 1/20 0.46
BLM P54132 1/20 0.45
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ESR1 P03372 3/20 0.42
ESR2 Q92731 2/20 0.42
KMT2A Q03164 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL6803939 0.86 MMP1 (0.47) MMP8PPIDHSD11B1ALDH1A1LMNA
SCHEMBL6809716 0.82 ESR1 (0.47) MMP8PPIDBLMHSD11B1ESR1
SCHEMBL9037437 0.79 MMP8 (0.52) MMP8PPIDHSD11B1ALDH1A1RECQL
SCHEMBL7830268 0.78 MMP8 (0.55) MMP8PPIDHSD11B1ALDH1A1RECQL
SCHEMBL6809015 0.76 CA12 (0.42) PPIDBLMHSD11B1ESR1ESR2
SCHEMBL4133298 0.76 PPID (0.54) MMP8PPIDHSD11B1ALDH1A1RECQL
SCHEMBL6713541 0.75 MMP8 (0.49) MMP8BLMALDH1A1RECQLLMNA
SCHEMBL5661041 0.75 ALDH1A1 (0.55) MMP8PPIDHSD11B1ALDH1A1RECQL
SCHEMBL9796660 0.74 MMP8 (0.48) MMP8PPIDHSD11B1ALDH1A1RECQL
SCHEMBL7421147 0.74 ALDH1A1 (0.54) MMP8PPIDHSD11B1ALDH1A1RECQL

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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
CN-1471512-A Geminally substituted alphavβ3Integrin antagonists 2004-01-28 CN 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 MMP8 2602/4885PPID 4856/4885BLM 3951/4885

“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.