SCHEMBL5043470

SCHEMBL5043470

CCOC(=O)[C@H](OCC)c1c(F)ccc(Oc2ccc(F)cc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL5042627 1.00 CARM1 (0.37) CARM1PRMT6EGFRLCKLMNA
SCHEMBL5043475 1.00 CARM1 (0.37) CARM1PRMT6EGFRLCKLMNA
SCHEMBL5037756 0.89 PPARA (0.38) CARM1PRMT6NPSR1CACNA1CHPGD
SCHEMBL5041031 0.78 CA12 (0.36) MEN1KMT2ANPSR1HPGD
Hydrochloric Acid SCHEMBL5037748 0.74 CARM1 (0.46) CARM1PRMT6PTGER4PTGER2MAPK1
Hydrochloric Acid SCHEMBL5037743 0.74 CARM1 (0.46) CARM1PRMT6PTGER4PTGER2MAPK1
Hydrochloric Acid SCHEMBL5037746 0.74 CARM1 (0.46) CARM1PRMT6PTGER4PTGER2MAPK1
SCHEMBL5042882 0.72 PTGS2 (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5041209 0.72 PIN1 (0.34) MEN1KMT2ANPSR1NPC1KDM4E
SCHEMBL5043292 0.69 S1PR2 (0.41) LMNAMAPTMEN1KMT2ARAB9A

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 CARM1 3874/4885PRMT6 1191/4885EGFR 706/4885

“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.