SCHEMBL5041275

SCHEMBL5041275

CCOC(C(=O)O)c1c(F)cc(Oc2ccc(OC)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
HPGD P15428 1/20 0.40
APP P05067 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP10 Q53GL7 1/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
FFAR1 O14842 1/20 0.38
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
AKR1C1 Q04828 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5038048 0.89 PTGS2 (0.39) LDHAHPGDAPPCYP2C19PPARG
SCHEMBL5040650 0.89 AKR1C3 (0.46) FFAR1AKR1C3AKR1C2
SCHEMBL5042882 0.88 PTGS2 (0.41) HPGDPARP10PTGS2
SCHEMBL5043068 0.88 LDHA (0.40) LDHAPPARGPPARDPPARAHTT
SCHEMBL5041037 0.85 PARP15 (0.41) PARP10PPARGPPARDPPARAFFAR1
SCHEMBL5041143 0.80 FFAR1 (0.43) FFAR1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL5042623 0.80 FFAR1 (0.43) FFAR1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL5047345 0.78 MAPK14 (0.39) PPARGPPARDPPARAFFAR1
SCHEMBL5047314 0.78 MAPK1 (0.47) AKR1C3AKR1C2HTT
SCHEMBL5045251 0.77 SMN1; SMN2 (0.46) HPGDHTT

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 LDHA 1220/4885HPGD 2678/4885APP 4301/4885

“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.