SCHEMBL5037756

SCHEMBL5037756

CCOC(C(=O)O)c1c(F)ccc(Oc2ccc(F)cc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.38
PPARD Q03181 8/20 0.38
PPARG P37231 7/20 0.38
PTGER4 P35408 3/20 0.37
PTGER2 P43116 2/20 0.37
HPGD P15428 1/20 0.36
FFAR1 O14842 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CACNA1C Q13936 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5043470 0.89 CARM1 (0.37) PTGER4PTGER2HPGDFFAR1CARM1
SCHEMBL5042627 0.89 CARM1 (0.37) PTGER4PTGER2HPGDFFAR1CARM1
SCHEMBL5043475 0.89 CARM1 (0.37) PTGER4PTGER2HPGDFFAR1CARM1
SCHEMBL5040434 0.77 FFAR1 (0.34) PPARAPPARGFFAR1
Hydrochloric Acid SCHEMBL5037746 0.75 CARM1 (0.46) PPARAPPARDPPARGPTGER4PTGER2
Hydrochloric Acid SCHEMBL5037743 0.75 CARM1 (0.46) PPARAPPARDPPARGPTGER4PTGER2
Hydrochloric Acid SCHEMBL5037748 0.75 CARM1 (0.46) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL5042596 0.74 PPARA (0.33) PPARAPPARDPPARGFFAR1
SCHEMBL5041275 0.72 LDHA (0.40) PPARAPPARDPPARGHPGDFFAR1
SCHEMBL24327731 0.72 HPGD (0.49) PPARAPPARGHPGDNPSR1

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 PPARA 4124/4885PPARD 4571/4885PPARG 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.