SCHEMBL5041861

SCHEMBL5041861

CCOc1ccc(C(OC)C(=O)O)c(F)c1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GLA P06280 1/20 0.36
CREBBP Q92793 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL5042286 0.79 FABP4 (0.46) FABP4FABP5HPGDNPC1RAB9A
SCHEMBL5037903 0.74 PTGS2 (0.40) FABP4FABP5HSD17B10KDM4EALDH1A1
SCHEMBL5037694 0.74 MEN1 (0.40)
SCHEMBL5037692 0.74 MEN1 (0.40)
SCHEMBL17241155 0.73 CES2 (0.45) FABP4FABP5L3MBTL1KDM4EALDH1A1
SCHEMBL17241156 0.73 CES2 (0.45) FABP4FABP5L3MBTL1KDM4EALDH1A1
SCHEMBL17241158 0.73 CES2 (0.45) FABP4FABP5L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5037948 0.73 F2 (0.48) L3MBTL1MAPK1
SCHEMBL5041723 0.70 FABP4 (0.46) FABP4FABP5L3MBTL1KDM4EALDH1A1
SCHEMBL2349656 0.69 CES2 (0.46) FABP4FABP5L3MBTL1KDM4EALDH1A1

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 2639/4885HSD17B10 3262/4885

“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.