SCHEMBL4859381

SCHEMBL4859381

COC(=O)COc1ccc(N(C)C(=O)OC(C)(C)C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
AAK1 Q2M2I8 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
P2RX3 P56373 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MCL1 Q07820 1/20 0.36
BRD4 O60885 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PAX8 Q06710 1/20 0.35
HMGCR P04035 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

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
SCHEMBL4861398 0.88 ESR1 (0.42) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL1549433 0.87 POLB (0.42) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL4852890 0.87 APP (0.44) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL4859374 0.86 AR (0.41) ALDH1A1MAPTAAK1LMNAMEN1
SCHEMBL4853470 0.86 LMNA (0.38) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4856543 0.86 ALDH1A1 (0.38) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4851612 0.86 LMNA (0.50) ALDH1A1MAPTLMNATSHRBRD4
SCHEMBL480930 0.78 BRD4 (0.44) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL4860564 0.77 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ACYP1A2TSHR
SCHEMBL4861312 0.76 ESR1 (0.52) ALDH1A1LMNAMEN1KMT2ACYP1A2

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 ALDH1A1 464/4885MAPT 4842/4885AAK1 3221/4885

“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.