SCHEMBL2525560

SCHEMBL2525560

COc1cccc(CC(=O)Oc2ccc(C(O)CNCC(=O)OC(C)(C)C)cc2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
ATM Q13315 1/20 0.35
GLS O94925 1/20 0.34

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
SCHEMBL2528609 0.91 L3MBTL1 (0.40) L3MBTL1TDP1KMT2AMEN1KDM4E
SCHEMBL2527801 0.85 MEN1 (0.42) TDP1KMT2AMEN1KDM4EGAA
SCHEMBL2532004 0.85 HSD17B10 (0.44) L3MBTL1TDP1KMT2AMEN1KDM4E
SCHEMBL2528091 0.84 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL2529789 0.83 VNN1 (0.41) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2532055 0.82 CA2 (0.40) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2525469 0.82 GPR119 (0.41) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2531030 0.82 ADRB3 (0.38) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2525562 0.82 MEN1 (0.40) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL2527546 0.81 TDP1 (0.47) L3MBTL1TDP1KMT2AKDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 L3MBTL1 4486/4885TDP1 3871/4885KMT2A 2317/4885

“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.