SCHEMBL5042405

SCHEMBL5042405

COc1cc(F)c(COCC(=O)O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GRK6 P43250 1/20 0.41
HMGCR P04035 2/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14126011 0.80 MTNR1A (0.54) MTNR1AMTNR1BGRK6HMGCRCYP3A4
SCHEMBL2347875 0.78 POLB (0.54) POLBLMNAHSD17B10
SCHEMBL2349186 0.78 FFAR4 (0.50) MTNR1BGRK6POLBLMNAHSD17B10
SCHEMBL5042280 0.78 KMT2A (0.43) CYP3A4POLBTSHRKMT2AMEN1
SCHEMBL14441618 0.77 POLB (0.51) MTNR1AMTNR1BHMGCRCYP3A4POLB
SCHEMBL1332667 0.76 POLB (0.58) GRK6HMGCRPOLBSMN1; SMN2TSHR
SCHEMBL26343381 0.76 SMN1; SMN2 (0.52) CYP3A4SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL5041931 0.74 TSHR (0.43) TSHRRAB9A
SCHEMBL5040978 0.73 CHRNA7 (0.45) POLBLMNA
SCHEMBL13618030 0.73 TAAR1 (0.53) MTNR1AMTNR1BHMGCRCYP3A4KDM1A

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 MTNR1A 27/4885MTNR1B 52/4885GRK6 1794/4885

“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.