SCHEMBL5040784

SCHEMBL5040784

COc1cccc(F)c1COCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL2352765 0.85 MMP1 (0.44) POLBKMT2ANPC1
SCHEMBL5042071 0.81 NPC1 (0.52) KMT2AMEN1NPC1KDM1ALMNA
SCHEMBL14126063 0.81 CXCL8 (0.49) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL29431257 0.81 CXCL8 (0.49) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL5042412 0.80 KDM4E (0.39) KMT2ACA12CA1CA2CA7
SCHEMBL28686546 0.77 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1NPC1CA12
SCHEMBL16892228 0.77 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1NPC1CA12
SCHEMBL6745272 0.75 SMN1; SMN2 (0.60) SMN1; SMN2POLBKMT2AMEN1CA12
SCHEMBL178447 0.73 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1NPC1CA12
SCHEMBL28072832 0.73 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1NPC1CA12

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 SMN1; SMN2 3242/4885POLB 4478/4885KMT2A 1963/4885

“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.