SCHEMBL4861601

SCHEMBL4861601

CNc1ccc(OCC(=O)OC)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
FFAR1 O14842 10/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SYK P43405 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4859910 0.87 FFAR1 (0.47) ALDH1A1MAPTFFAR1LMNA
SCHEMBL4862154 0.83 APP (0.52) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1549036 0.83 HTT (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2945856 0.83 ALDH1A1 (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4859783 0.82 LMNA (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4856683 0.82 LMNA (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4860695 0.82 LMNA (0.62) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1550128 0.81 AR (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4859373 0.79 FFAR1 (0.46) ALDH1A1MAPTFFAR1
SCHEMBL14472463 0.78 FFAR1 (0.37) FFAR1

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 4842/4885FFAR1 24/4885

“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.