SCHEMBL5041857

SCHEMBL5041857

CCOc1ccc(COCC(=O)O)c(F)c1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 1/20 0.45
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARD Q03181 5/20 0.37
FFAR1 O14842 4/20 0.37
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 3/20 0.35
PKM P14618 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL5042285 0.78 ELANE (0.45) L3MBTL1KDM4EHPGDFFAR1NPC1
SCHEMBL27634810 0.76 ALDH1A1 (0.41) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5037900 0.75 L3MBTL1 (0.42) L3MBTL1GLAKDM4EHSD17B10PPARD
SCHEMBL14855671 0.73 KAT6A (0.42) L3MBTL1GLAALDH1A1NPC1TSHR
SCHEMBL9899219 0.71 GLA (0.46) L3MBTL1GLAHSD17B10THRBNPC1
SCHEMBL5042280 0.69 KMT2A (0.43) L3MBTL1GLAKDM4EHSD17B10PPARD
SCHEMBL2349654 0.68 FFAR4 (0.46) ALDH1A1THRB
SCHEMBL5041861 0.68 FABP4 (0.43) L3MBTL1GLAKDM4EALDH1A1HPGD
SCHEMBL9979371 0.67 RXRA (0.42) L3MBTL1GLAHSD17B10TSHRRXRA
SCHEMBL10138488 0.67 TUBB1 (0.40) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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 L3MBTL1 1475/4885GLA 593/4885KDM4E 2563/4885

“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.