SCHEMBL13850809

SCHEMBL13850809

CCOC(=O)Cc1cc(C(=O)OC)c(OC)c2ncc(Cc3ccc(F)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
DPP4 P27487 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MAPT P10636 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.35
PDE4B Q07343 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM2 Q14416 2/20 0.35

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
SCHEMBL13850799 0.89 MAPT (0.42) MAPTHPGDNPSR1HTTPDE4B
SCHEMBL13255533 0.88 PDE3B (0.46) DPP4MAPTPDE3BPDE3AHPGD
SCHEMBL13850757 0.86 MAPT (0.43) MAPTHPGDNPSR1SMN1; SMN2ALDH1A1
SCHEMBL13875850 0.85 MAPT (0.41) MAPTHPGDNPSR1SMN1; SMN2ALDH1A1
SCHEMBL13255534 0.85 PDE3B (0.39) MAPTPDE3BPDE3ANPSR1MEN1
SCHEMBL13850749 0.85 MAPT (0.43) MAPTHPGDNPSR1HTTSMN1; SMN2
SCHEMBL13850839 0.85 CYP11B1 (0.39) MAPTHPGDNPSR1SMN1; SMN2ALDH1A1
SCHEMBL13850796 0.84 GRM2 (0.39) MAPTHPGDNPSR1SMN1; SMN2ALDH1A1
SCHEMBL13850797 0.84 MAPT (0.39) MAPTHPGDNPSR1SMN1; SMN2ALDH1A1
SCHEMBL13875861 0.84 MAPT (0.39) MAPTHPGDNPSR1SMN1; SMN2ALDH1A1

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-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 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 MAOB 741/4885DPP4 1813/4885JAK2 1171/4885

“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.