SCHEMBL4853470

SCHEMBL4853470

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
MCL1 Q07820 1/20 0.36
BRD4 O60885 1/20 0.36
PAX8 Q06710 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
APP P05067 1/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1549433 0.89 POLB (0.42) LMNAMEN1KMT2ACYP1A2KDM4E
SCHEMBL4852890 0.87 APP (0.44) LMNAMEN1KMT2ACYP1A2POLB
SCHEMBL4851612 0.86 LMNA (0.50) LMNAPOLBALDH1A1MAPTBRD4
SCHEMBL4856543 0.86 ALDH1A1 (0.38) LMNAMEN1KMT2ACYP1A2KDM4E
SCHEMBL4859381 0.86 ALDH1A1 (0.40) LMNAMEN1KMT2ACYP1A2KDM4E
SCHEMBL5691074 0.85 RAB9A (0.37) LMNAMEN1KMT2ACYP1A2KDM4E
SCHEMBL4859374 0.84 AR (0.41) LMNAMEN1KMT2ACYP1A2KDM4E
SCHEMBL4860564 0.79 ALDH1A1 (0.53) KMT2ACYP1A2POLBALDH1A1MAPT
SCHEMBL4861312 0.79 ESR1 (0.52) LMNAMEN1KMT2ACYP1A2KDM4E
SCHEMBL480930 0.78 BRD4 (0.44) LMNAMEN1KMT2ACYP1A2ALDH1A1

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 LMNA 1382/4885MEN1 4569/4885KMT2A 3776/4885

“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.