SCHEMBL2527802

SCHEMBL2527802

CCCCCCCCc1ccc(C(=O)Oc2ccc(C(CN(C)C(=O)OC(C)(C)C)c3nccn3C(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLA2G4A P47712 6/20 0.35
KMT2A Q03164 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 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
SCHEMBL2525650 1.00 MAPT (0.39) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL2528500 1.00 MAPT (0.39) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL2529732 0.99 MAPT (0.40) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL2526613 0.94 MAPT (0.37) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL2527468 0.92 LMNA (0.46) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL2525490 0.91 LMNA (0.46) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL2529260 0.87 SLC6A2 (0.42) MAPTSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL2526970 0.87 CYP1A2 (0.38) MAPTSMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL2527399 0.87 SLC6A2 (0.41) MAPTSMN1; SMN2LMNAKMT2ATHRB
SCHEMBL2527012 0.86 TP53 (0.36) MAPTSMN1; SMN2NPC1KMT2ATHRB

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 MAPT 2834/4885SMN1; SMN2 1884/4885NPC1 3178/4885

“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.