SCHEMBL5042575

SCHEMBL5042575

CCOC(C(=O)O)c1c(F)cc(OCc2ccccc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.50
PPARA Q07869 3/20 0.50
PPARG P37231 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR1 O14842 8/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
BRD4 O60885 1/20 0.42
ALOX5 P09917 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 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
SCHEMBL5042698 0.84 F10 (0.55) PPARAPPARGFFAR1LMNAMAOB
SCHEMBL5038048 0.79 PTGS2 (0.39) PPARDPPARAPPARGKMT2AFFAR1
SCHEMBL5037527 0.79 CA12 (0.36) PPARAPPARGFFAR1
SCHEMBL5041919 0.78 F10 (0.45) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL5041913 0.78 F10 (0.45) PPARDPPARAPPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL5037497 0.77 F10 (0.60)
SCHEMBL25317826 0.76 LMNA (0.55) PPARDMEN1KMT2AFFAR1LMNA
SCHEMBL14268012 0.76 ALOX5 (0.50) MEN1KMT2ALMNAL3MBTL1MAOB
SCHEMBL25317372 0.76 AR (0.47) MEN1KMT2AMAOBMRGPRX4ALOX5
SCHEMBL5041275 0.75 LDHA (0.40) PPARDPPARAPPARGFFAR1

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 PPARD 4571/4885PPARA 4124/4885PPARG 4757/4885

“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.