SCHEMBL5045302

SCHEMBL5045302

COC(C(=O)O)c1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
MAOB P27338 8/20 0.48
FFAR1 O14842 4/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR4A2 P43354 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
PPARD Q03181 3/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL27577519 0.82 MAOB (0.50) MRGPRX4MAOBFFAR1NR4A2NR4A1
SCHEMBL2347876 0.81 PTGS2 (0.45)
SCHEMBL5042730 0.80 HDAC8 (0.53) MRGPRX4MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL15472489 0.79 ALOX5 (0.56) MRGPRX4MAOBRAB9ASMN1; SMN2MAOA
SCHEMBL9547737 0.79 MAOB (0.50) MRGPRX4MAOBFFAR1NR4A2PPARD
SCHEMBL5042659 0.78 MAOB (0.56) MAOBFFAR1PPARGPPARANPC1
SCHEMBL28123955 0.78 MAOB (0.49) MRGPRX4MAOBFFAR1NR4A2PPARD
SCHEMBL5038222 0.77 KMT2A (0.60) MRGPRX4MAOBSMN1; SMN2NR4A2
SCHEMBL30697636 0.77 LMNA (0.54) MRGPRX4MAOBFFAR1PPARGSMN1; SMN2
SCHEMBL27577521 0.76 MAOB (0.47) MRGPRX4MAOBNPC1RAB9AMAOA

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 MRGPRX4 112/4885MAOB 553/4885FFAR1 1355/4885

“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.