SCHEMBL5042286

SCHEMBL5042286

COc1ccc(C(OC)C(=O)O)c(F)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4D Q08499 1/20 0.42
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXRA P19793 1/20 0.41
GLRA1 P23415 1/20 0.41
PTPN1 P18031 1/20 0.41
BCHE P06276 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL24449859 0.82 BCHE (0.46) MRGPRX4MEN1KMT2AGLRA1BCHE
SCHEMBL5041861 0.79 FABP4 (0.43) FABP4FABP5HPGDNPC1RAB9A
SCHEMBL5042730 0.75 HDAC8 (0.53) FABP4FABP5MRGPRX4NPC1RAB9A
SCHEMBL5045302 0.75 MRGPRX4 (0.48) MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL5041809 0.73 SMPD1 (0.56) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5042285 0.73 ELANE (0.45) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5041723 0.73 FABP4 (0.46) FABP4FABP5MRGPRX4KMT2A
SCHEMBL5038227 0.73 ERN1 (0.52) MRGPRX4BCHE
SCHEMBL5042075 0.71 MRGPRX4 (0.50) FABP4FABP5MRGPRX4HPGDNPC1
SCHEMBL9163395 0.70 KMT2A (0.53) FABP4FABP5HPGDSMN1; SMN2KMT2A

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 FABP4 4267/4885FABP5 2639/4885MRGPRX4 112/4885

“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.