SCHEMBL4859783

SCHEMBL4859783

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
POLB P06746 1/20 0.40
APP P05067 1/20 0.40
MCL1 Q07820 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HMGCR P04035 1/20 0.39

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
SCHEMBL1549036 0.83 HTT (0.54) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4862154 0.83 APP (0.52) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4861601 0.82 ALDH1A1 (0.48) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4860695 0.82 LMNA (0.62) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4856683 0.82 LMNA (0.46) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4856493 0.80 LMNA (0.47) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4853127 0.80 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4853455 0.79 MTNR1A (0.40) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL1550128 0.78 AR (0.46) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL24589197 0.77 APP (0.46) LMNAALDH1A1MEN1KMT2AMAPT

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 LMNA 1382/4885ALDH1A1 464/4885MEN1 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.