SCHEMBL5042406

SCHEMBL5042406

COc1cc(F)c(C(OC)C(=O)O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LDHA P00338 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
TPMT P51580 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL15676827 0.85 LMNA (0.39) LMNAMAPK1HTTRAB9AGAA
SCHEMBL5042282 0.78 KMT2A (0.44) LMNAGAAALDH1A1PTGS2TSHR
SCHEMBL2347876 0.77 PTGS2 (0.45) PTGS2MTNR1AMTNR1BTSHR
SCHEMBL2349189 0.77 AKR1C3 (0.43) LDHAPTGS2TSHR
SCHEMBL27993307 0.75 MGAM (0.41) LMNAMAPK1HTTRAB9AGAA
SCHEMBL5040984 0.75 MIF (0.39) GAACA12CA1CA2CA7
SCHEMBL5041933 0.75 ALDH1A1 (0.38) RAB9AGAAALDH1A1PTGS2PPARG
SCHEMBL5041566 0.73 ALDH1A1 (0.50) LMNARAB9ALDHAGAAALDH1A1
SCHEMBL5041250 0.73 ALDH1A1 (0.53) LMNARAB9ALDHAGAAALDH1A1
SCHEMBL29543983 0.73 NPSR1 (0.46) LMNAMAPK1HTTRAB9AGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 LMNA 1694/4885MAPK1 401/4885HTT 4688/4885

“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.