SCHEMBL5046233

SCHEMBL5046233

COc1cc(OCc2coc(C=Cc3ccc(OC(F)F)cc3)n2)ccc1COCCn1ccnn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.51
MINK1 Q8N4C8 1/20 0.51
PDGFRB P09619 3/20 0.32
APP P05067 1/20 0.30
MAPT P10636 1/20 0.30
NCF1 P14598 1/20 0.30
EGFR P00533 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL5046229 1.00 ERBB2 (0.51) ERBB2MINK1PDGFRBAPPMAPT
SCHEMBL5046482 0.92 ERBB2 (0.52) ERBB2MINK1NCF1
SCHEMBL5046476 0.92 ERBB2 (0.52) ERBB2MINK1NCF1
SCHEMBL5047849 0.90 ERBB2 (0.52) ERBB2MINK1NCF1
SCHEMBL5047856 0.90 ERBB2 (0.52) ERBB2MINK1NCF1
SCHEMBL5046169 0.90 ERBB2 (0.54) ERBB2MINK1PDGFRBAPPMAPT
SCHEMBL5046167 0.90 ERBB2 (0.54) ERBB2MINK1PDGFRBAPPMAPT
SCHEMBL5046148 0.88 ERBB2 (0.52) ERBB2MINK1APPMAPT
SCHEMBL5046146 0.88 ERBB2 (0.52) ERBB2MINK1APPMAPT
SCHEMBL5043332 0.86 ERBB2 (0.62) ERBB2MINK1NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432291-B2 Ether derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US claimed
EP-1727815-B1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-06-27 EP claimed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP claimed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO claimed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 US claimed
US-7432291-B2 Ether derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1727815-B1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-06-27 EP disclosed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO disclosed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 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-20050209290-A1 Novel ether derivatives CYP2E1, CYP11B1, CYP11B2 ERBB2 823/4885MINK1 2620/4885PDGFRB 4181/4885

“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.