SCHEMBL5042280

SCHEMBL5042280

CCOc1cc(COCC(=O)O)c(F)cc1OCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
FFAR1 O14842 8/20 0.37
PPARD Q03181 5/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RET P07949 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL27573351 0.84 KMT2A (0.47) KMT2AKDM4EGAAL3MBTL1GLA
SCHEMBL5042405 0.78 MTNR1A (0.46) KMT2AGAATSHRHSD17B10POLB
SCHEMBL5037900 0.72 L3MBTL1 (0.42) KDM4EL3MBTL1GLAFFAR1PPARD
SCHEMBL5042282 0.70 KMT2A (0.44) KMT2AKDM4EGAAL3MBTL1FFAR1
SCHEMBL1882851 0.70 LMNA (0.51) KMT2AKDM4EGAAL3MBTL1TSHR
SCHEMBL5041857 0.69 L3MBTL1 (0.45) KDM4EL3MBTL1GLAFFAR1PPARD
SCHEMBL2345245 0.68 FFAR1 (0.44) L3MBTL1GLAFFAR1PPARDFFAR4
SCHEMBL5041931 0.66 TSHR (0.43) KDM4EFFAR1PPARDTSHRPPARG
SCHEMBL5040978 0.65 CHRNA7 (0.45) POLB
SCHEMBL9631971 0.65 KMT2A (0.54) KMT2AKDM4EGAAL3MBTL1FFAR4

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 KMT2A 1963/4885KDM4E 2563/4885GAA 1312/4885

“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.