SCHEMBL5040728

SCHEMBL5040728

CCOC(=O)C(OCC)c1ccc(OC)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.44
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
FFAR1 O14842 1/20 0.40
CPS1 P31327 3/20 0.40
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL5040727 1.00 PRKCZ (0.44) PRKCZALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL5041143 0.87 FFAR1 (0.43) FFAR1CPS1HSD17B10
SCHEMBL5042623 0.87 FFAR1 (0.43) FFAR1CPS1HSD17B10
SCHEMBL10351549 0.83 PRKCZ (0.36) PRKCZALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL5042607 0.81 CYP3A4 (0.40) PRKCZALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL5042882 0.80 PTGS2 (0.41) PRKCZALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL21342326 0.80 PRKCZ (0.46) PRKCZALDH1A1L3MBTL1TSHRMAPK1
Hydrochloric Acid SCHEMBL21332000 0.78 PRKCZ (0.45) PRKCZALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL21332001 0.78 PRKCZ (0.45) PRKCZALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL5047314 0.77 MAPK1 (0.47) ALDH1A1L3MBTL1TSHRMAPK1TDP1

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 PRKCZ 1614/4885ALDH1A1 519/4885L3MBTL1 1475/4885

“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.