SCHEMBL6809015

SCHEMBL6809015

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
KMT2A Q03164 2/20 0.41
ESR1 P03372 6/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 5/20 0.41
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
ACP1 P24666 1/20 0.39
MIF P14174 2/20 0.39
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPID Q08752 1/20 0.37
PPIG Q13427 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 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
SCHEMBL9796660 0.87 MMP8 (0.48) KMT2APPIDHSD11B1MEN1TSHR
SCHEMBL6804218 0.86 KMT2A (0.43) KMT2APTPN1PTPRBACP1MEN1
SCHEMBL6809716 0.81 ESR1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6800993 0.76 MMP8 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9796699 0.75 GAA (0.41) KMT2ATHRBHSD11B1MEN1TSHR
SCHEMBL2304250 0.71 KMT2A (0.49) CA12CA1CA2CA7CA9
SCHEMBL8486868 0.71 ESR1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9796916 0.71 MGAM (0.34) CA12CA1CA2CA9HSD11B1
SCHEMBL21576031 0.70 MAPK1 (0.53) KMT2AHSD11B1MEN1
SCHEMBL21576000 0.70 MAPK1 (0.53) KMT2AHSD11B1MEN1

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 CA12 3877/4885CA1 2061/4885CA2 1223/4885

“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.