SCHEMBL13850797

SCHEMBL13850797

COC(=O)c1cc(Cc2cc(C(=O)OC)c(OC)c3ncc(Cc4ccc(F)cc4)cc23)c2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GRM2 Q14416 4/20 0.36
HSP90AA1 P07900 2/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PLA2G2A P14555 1/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
HSP90B1 P14625 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3870490 0.94 MAPT (0.43) MAPTGRM2HSP90AA1KDM5AKDM5B
SCHEMBL13850799 0.90 MAPT (0.42) MAPTGRM2HSP90AA1KDM5AKDM5B
SCHEMBL13850757 0.89 MAPT (0.43) MAPTGRM2HSP90AA1PLA2G2ACNR1
SCHEMBL13850730 0.89 MAPT (0.43) MAPTGRM2HSP90AA1KDM5AKDM5B
SCHEMBL13875850 0.88 MAPT (0.41) MAPTGRM2HSP90AA1KDM5AKDM5B
SCHEMBL3873995 0.88 MAPT (0.44) MAPTGRM2HSP90AA1KDM5AKDM5B
SCHEMBL3867687 0.87 MAPT (0.41) MAPTGRM2HSP90AA1KDM5AKDM5B
SCHEMBL13875861 0.86 MAPT (0.39) MAPTGRM2HSP90AA1KDM5AKDM5B
SCHEMBL3866806 0.86 MAPT (0.41) MAPTGRM2HSP90AA1KDM5AKDM5B
SCHEMBL3880485 0.86 MAPT (0.41) MAPTGRM2HSP90AA1KDM5AKDM5B

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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
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 MAPT 4308/4885GRM2 4122/4885HSP90AA1 4501/4885

“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.