SCHEMBL4859374

SCHEMBL4859374

COC(=O)COc1ccc(N(C)C(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
RXRA P19793 2/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
AAK1 Q2M2I8 6/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 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
SCHEMBL4859940 0.89 ESR1 (0.41) ARRXRANR1H2NR1H3ALDH1A1
SCHEMBL4859381 0.86 ALDH1A1 (0.40) MAPTALDH1A1LMNAGPBAR1MEN1
SCHEMBL1549433 0.85 POLB (0.42) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL4852890 0.85 APP (0.44) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL4851612 0.84 LMNA (0.50) MAPTALDH1A1LMNACYP2C19HTT
SCHEMBL4856543 0.84 ALDH1A1 (0.38) MAPTALDH1A1LMNAPPARGPPARD
SCHEMBL4853470 0.84 LMNA (0.38) MAPTALDH1A1LMNAMEN1KMT2A
Water SCHEMBL27577198 0.76 BRD4 (0.40) RXRANR1H2NR1H3LMNAMEN1
SCHEMBL27650499 0.76 NR1H4 (0.43) RXRANR1H2NR1H3LMNAMEN1
SCHEMBL480930 0.76 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 AR 142/4885RXRA 32/4885NR1H2 22/4885

“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.