SCHEMBL5042659

SCHEMBL5042659

COC(C(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
ALOX5 P09917 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
PPARG P37231 2/20 0.55
PPARA Q07869 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FFAR1 O14842 2/20 0.54
ACACB O00763 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL10584101 0.86 NR4A1 (0.57) MAOBALOX5NR4A1NR4A2NR4A3
SCHEMBL9076068 0.85 FFAR1 (0.56) ALOX5PPARGPPARANPC1RAB9A
SCHEMBL5038222 0.84 KMT2A (0.60) MAOBALOX5NR4A2SMN1; SMN2ACACB
SCHEMBL9151615 0.82 PARP10 (0.56) MAOBALOX5PPARGPPARANPC1
SCHEMBL2885897 0.81 ALOX5 (0.62) MAOBALOX5NR4A1NR4A2NR4A3
SCHEMBL7761599 0.81 NR4A1 (0.62) MAOBALOX5NR4A1NR4A2NR4A3
SCHEMBL10999770 0.81 NR4A1 (0.62) MAOBALOX5NR4A1NR4A2NR4A3
SCHEMBL11468606 0.80 PPARG (0.50) MAOBALOX5NR4A1NR4A2NR4A3
Hydrochloric Acid SCHEMBL6948842 0.80 ALOX5 (0.60) MAOBALOX5NR4A1NR4A2NR4A3
SCHEMBL6204244 0.80 LMNA (0.58) MAOBALOX5NR4A1NR4A2NR4A3

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 MAOB 553/4885ALOX5 2298/4885NR4A1 2626/4885

“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.