SCHEMBL5042282

SCHEMBL5042282

CCOc1cc(C(OC)C(=O)O)c(F)cc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
PTGS2 P35354 3/20 0.37
PTGS1 P23219 1/20 0.37
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
CASP6 P55212 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RET P07949 1/20 0.32

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
SCHEMBL5042406 0.78 LMNA (0.41) GAAPTGS2TSHRALDH1A1LMNA
SCHEMBL5041703 0.76 GAA (0.39) KMT2AKDM4EGAATSHRMEN1
SCHEMBL5041701 0.76 GAA (0.39) KMT2AKDM4EGAATSHRMEN1
Hydrochloric Acid SCHEMBL5038299 0.74 F2 (0.48) L3MBTL1
Hydrochloric Acid SCHEMBL5038289 0.74 F2 (0.48) L3MBTL1
SCHEMBL27573351 0.74 KMT2A (0.47) KMT2AKDM4EGAATSHRHSD17B10
SCHEMBL13085693 0.72 TUBB1 (0.40) KMT2AGAAPOLBMEN1L3MBTL1
SCHEMBL5037903 0.71 PTGS2 (0.40) KDM4EPTGS2PTGS1TSHRHSD17B10
SCHEMBL7144845 0.71 PDE10A (0.39) KMT2AKDM4EGAARET
SCHEMBL1882851 0.71 LMNA (0.51) KMT2AKDM4EGAATSHRPOLB

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 KMT2A 1963/4885KDM4E 2563/4885GAA 1312/4885

“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.