SCHEMBL13850839

SCHEMBL13850839

COC(=O)CCc1cc(C(=O)OC)c(OC)c2ncc(Cc3ccc(F)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPT P10636 2/20 0.39
FFAR4 Q5NUL3 1/20 0.37
GRM2 Q14416 3/20 0.35
HSP90AA1 P07900 2/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
PLA2G2A P14555 2/20 0.35
HSP90B1 P14625 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13255534 0.93 PDE3B (0.39) CYP11B1CYP11B2MAPTALDH1A1SMN1; SMN2
SCHEMBL13850837 0.92 FFAR4 (0.45) MAPTFFAR4GRM2HSP90AA1CNR2
SCHEMBL13850799 0.89 MAPT (0.42) MAPTFFAR4GRM2HSP90AA1CNR2
SCHEMBL13850757 0.88 MAPT (0.43) MAPTGRM2HSP90AA1CNR2CNR1
SCHEMBL13875850 0.87 MAPT (0.41) MAPTFFAR4GRM2HSP90AA1CNR2
SCHEMBL13875861 0.85 MAPT (0.39) MAPTFFAR4GRM2HSP90AA1CNR2
SCHEMBL13850797 0.85 MAPT (0.39) MAPTGRM2HSP90AA1CNR2CNR1
SCHEMBL13850809 0.85 MAOB (0.41) MAPTGRM2HSP90AA1ALDH1A1HPGD
SCHEMBL13850749 0.85 MAPT (0.43) MAPTFFAR4GRM2CNR2CNR1
SCHEMBL13850804 0.85 MAPT (0.39) MAPTFFAR4GRM2HSP90AA1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 CYP11B1 377/4885CYP11B2 736/4885MAPT 4308/4885

“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.