SCHEMBL2525490

SCHEMBL2525490

CCCCCOc1ccc(C(=O)Oc2ccc(C(CN(C)C(=O)OC(C)(C)C)c3nccn3C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.41
MAPT P10636 5/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 3/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2527468 0.99 LMNA (0.46) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2529732 0.92 MAPT (0.40) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2525650 0.91 MAPT (0.39) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2528500 0.91 MAPT (0.39) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2527802 0.91 MAPT (0.39) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2526613 0.89 MAPT (0.37) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2526970 0.89 CYP1A2 (0.38) LMNACYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2529260 0.89 SLC6A2 (0.42) NPC1SMN1; SMN2KMT2AMAPTPOLB
SCHEMBL2527399 0.89 SLC6A2 (0.41) LMNASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL2529918 0.89 ALDH1A1 (0.37) LMNACYP1A2CYP2D6KMT2AMAPT

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 LMNA 2981/4885NPC1 3178/4885CYP1A2 3947/4885

“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.