SCHEMBL4852890

SCHEMBL4852890

COC(=O)COc1ccc(N(C)C(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
HMGCR P04035 2/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MCHR1 Q99705 3/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4860564 0.90 ALDH1A1 (0.53) KMT2ACYP1A2POLBALDH1A1MCHR1
SCHEMBL1549433 0.88 POLB (0.42) KMT2AMEN1CYP1A2POLBALDH1A1
SCHEMBL4853470 0.87 LMNA (0.38) APPKMT2AMEN1CYP1A2POLB
SCHEMBL4851612 0.87 LMNA (0.50) POLBALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL4859381 0.87 ALDH1A1 (0.40) KMT2AMEN1CYP1A2HMGCRALDH1A1
SCHEMBL4856543 0.87 ALDH1A1 (0.38) KMT2AMEN1CYP1A2HMGCRALDH1A1
SCHEMBL4859374 0.85 AR (0.41) KMT2AMEN1CYP1A2ALDH1A1LMNA
SCHEMBL480930 0.79 BRD4 (0.44) KMT2AMEN1CYP1A2ALDH1A1MTNR1A
SCHEMBL20060650 0.78 MTNR1A (0.42) APPKMT2AMEN1CYP1A2POLB
SCHEMBL4861312 0.77 ESR1 (0.52) KMT2AMEN1CYP1A2POLBALDH1A1

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 APP 3633/4885KMT2A 3776/4885MEN1 4569/4885

“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.