SCHEMBL4304207

SCHEMBL4304207

O=C(C(=O)c1ccc(OC(F)F)c(C2CC2)c1)c1cccc(C#CC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.41
REN P00797 3/20 0.41
CTSD P07339 3/20 0.41
CYP3A4 P08684 3/20 0.41
BACE2 Q9Y5Z0 3/20 0.41
PDE4A P27815 7/20 0.35
PDE4B Q07343 7/20 0.35
PDE4C Q08493 7/20 0.35
PDE4D Q08499 7/20 0.35
HAO1 Q9UJM8 3/20 0.35
PTGES O14684 2/20 0.34
GRM5 P41594 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PROKR1 Q8TCW9 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
SCHEMBL4305817 0.88 PDE4D (0.36) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL4308458 0.86 PDE4D (0.37) BACE1RENCTSDCYP3A4BACE2
SCHEMBL4315696 0.86 BACE1 (0.52) BACE1RENCTSDCYP3A4BACE2
SCHEMBL4306019 0.85 PDE4D (0.37) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL4312770 0.85 LMNA (0.41) PDE4APDE4BPDE4CPDE4DHAO1
SCHEMBL4566547 0.84 EZH2 (0.36) BACE1RENCTSDCYP3A4BACE2
SCHEMBL4306377 0.84 PDE4D (0.38) BACE1RENCTSDBACE2PDE4A
SCHEMBL4309826 0.84 PDE4D (0.35) BACE1RENCTSDCYP3A4BACE2
SCHEMBL4308365 0.84 BACE1 (0.37) BACE1RENCTSDBACE2PDE4A
SCHEMBL4309481 0.83 PTPN2 (0.36) BACE1RENCTSDBACE2PDE4A

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-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 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-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP BACE1 1/4885REN 2367/4885CTSD 88/4885

“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.