SCHEMBL6318372

SCHEMBL6318372

COc1ccc(C2CC2C(=O)N(C)OC)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.59
TRPM5 Q9NZQ8 3/20 0.52
PDE4B Q07343 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
EPHX2 P34913 1/20 0.44
NR3C1 P04150 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42

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
SCHEMBL7367832 0.88 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL7367830 0.88 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL6250729 0.81 MAPT (0.51) EPHX2
SCHEMBL2952559 0.81 APP (0.55) APPTRPM5PDE4BPDE4APDE4C
SCHEMBL7002288 0.81 APP (0.55) APPTRPM5PDE4BPDE4APDE4C
SCHEMBL13001927 0.81 PDE4B (0.52) APPTRPM5PDE4BPDE4APDE4C
SCHEMBL7002284 0.81 APP (0.55) APPTRPM5PDE4BPDE4APDE4C
SCHEMBL6320354 0.80 SLC9A1 (0.60) APPTRPM5EPHX2
SCHEMBL8101972 0.80 SLC9A1 (0.60) APPTRPM5EPHX2
SCHEMBL13002393 0.79 APP (0.60) APPTRPM5PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 APP 3303/4885TRPM5 163/4885PDE4B 2515/4885

“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.