SCHEMBL4856543

SCHEMBL4856543

CCc1cc(N(C)C(=O)OC(C)(C)C)ccc1OCC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
PPARD Q03181 3/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
HMGCR P04035 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 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

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 0.87 POLB (0.42) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL4852890 0.87 APP (0.44) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL4859381 0.86 ALDH1A1 (0.40) ALDH1A1MCL1LMNAMEN1KMT2A
SCHEMBL4851612 0.86 LMNA (0.50) ALDH1A1LMNAMAPTHPGDMAPK1
SCHEMBL4853470 0.86 LMNA (0.38) ALDH1A1MCL1LMNAMEN1KMT2A
SCHEMBL4859374 0.84 AR (0.41) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL1549489 0.80 ESR1 (0.38) ALDH1A1MEN1KMT2APPARDPPARG
SCHEMBL4860564 0.79 ALDH1A1 (0.53) ALDH1A1KMT2ACYP1A2MAPT
SCHEMBL4861312 0.79 ESR1 (0.52) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL480930 0.78 BRD4 (0.44) 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 464/4885MCL1 2116/4885LMNA 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.