SCHEMBL5566352

SCHEMBL5566352

CCOC(=O)c1coc(C=Cc2ccc3c(c2)OC(F)(F)O3)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 16/20 0.41
KCNH2 Q12809 2/20 0.39
MAOB P27338 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5566350 1.00 GPR183 (0.41) GPR183KCNH2MAOBNR1H4MAPT
SCHEMBL5558380 0.83 GPR183 (0.43) GPR183KCNH2MAOB
SCHEMBL5558384 0.83 GPR183 (0.43) GPR183KCNH2MAOB
SCHEMBL16398593 0.78 UTRN (0.42) NR1H4MAPTCYP1A2
SCHEMBL740362 0.77 ADORA3 (0.49) MAPTCYP1A2
SCHEMBL740361 0.77 ADORA3 (0.49) MAPTCYP1A2
SCHEMBL5563033 0.77 ERBB2 (0.50) MAOBMAPT
SCHEMBL5563029 0.77 ERBB2 (0.50) MAOBMAPT
SCHEMBL31434775 0.77 NR1H4 (0.38) NR1H4MAPTCYP1A2
SCHEMBL5563629 0.76 POLB (0.44) MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO 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-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents ERBB2, EGFR, ERBB3 GPR183 187/4885KCNH2 4334/4885MAOB 55/4885

“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.