SCHEMBL5037472

SCHEMBL5037472

CCOC(=O)COc1cc(COCC(=O)NCc2ccc(C#N)cc2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5037474 0.80 HIF1A (0.47) TDP1ALDH1A1HIF1AL3MBTL1
SCHEMBL5040569 0.79 HIF1A (0.47) ALDH1A1HIF1AL3MBTL1
Hydrochloric Acid SCHEMBL5041211 0.76 F2 (0.46) MAPTALDH1A1L3MBTL1
SCHEMBL21276486 0.75 HPGD (0.53) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL5045403 0.72 KDM4E (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL7367826 0.72 CYP3A4 (0.51) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL3230548 0.71 LMNA (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1EPHX2
SCHEMBL1668701 0.71 EPHX2 (0.59) MAPTPOLBSMN1; SMN2EPHX2
SCHEMBL8716128 0.69 ALDH1A1 (0.48) KMT2AMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL5041159 0.69 PKM (0.50) MEN1KMT2AMAPTPOLBALDH1A1

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 MEN1 766/4885KMT2A 1963/4885MAPT 4423/4885

“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.