SCHEMBL5037802

SCHEMBL5037802

COc1ccc(COCC(=O)O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ESR1 P03372 1/20 0.48
CYP19A1 P11511 1/20 0.48
ESR2 Q92731 1/20 0.48
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 1/20 0.46
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL2347875 0.88 POLB (0.54) POLBLMNAHSD17B10
SCHEMBL2349186 0.84 FFAR4 (0.50) POLBLMNAHSD17B10
SCHEMBL5038069 0.84 POLB (0.50) POLBLMNAHSD17B10ALDH1A1HTT
SCHEMBL3296862 0.83 POLB (0.73) POLBLMNANPC1RAB9AESR1
SCHEMBL30335932 0.83 POLB (0.73) POLBLMNANPC1RAB9AESR1
SCHEMBL21317665 0.79 POLB (1.00) POLBNPC1RAB9AESR1CYP19A1
SCHEMBL1922358 0.78 POLB (0.66) POLBNPC1RAB9AESR1CYP19A1
SCHEMBL5042727 0.78 HDAC8 (0.53) POLBLMNANPC1RAB9AMAPT
SCHEMBL2045876 0.77 POLB (0.64) POLBNPC1RAB9AESR1CYP19A1
SCHEMBL32670782 0.77 POLB (0.64) POLBNPC1RAB9AESR1CYP19A1

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 POLB 4478/4885LMNA 1694/4885NPC1 3616/4885

“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.