SCHEMBL4853455

SCHEMBL4853455

COC(=O)COc1ccc(NCC(=O)OC(C)(C)C)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 1/20 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
SCHEMBL4852883 0.86 APP (0.45) MTNR1AMTNR1BLMNAMAPTALDH1A1
SCHEMBL1549431 0.86 HTT (0.47) LMNAALDH1A1KDM4EHTTPOLB
SCHEMBL4851598 0.85 LMNA (0.51) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4856533 0.85 ITGB1 (0.40) MTNR1AMTNR1BLMNAMAPTALDH1A1
SCHEMBL4859373 0.85 FFAR1 (0.46) MAPTALDH1A1
SCHEMBL4853127 0.84 ALDH1A1 (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4859367 0.83 PSEN1 (0.42) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL7437136 0.79 PSEN1 (0.48) MAPTALDH1A1MEN1KMT2APSEN1
SCHEMBL4859783 0.79 LMNA (0.46) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4860553 0.78 ALDH1A1 (0.53) LMNAMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG MTNR1A 273/4885MTNR1B 285/4885LMNA 1382/4885

“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.