SCHEMBL303052

SCHEMBL303052

CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCCCCCCS)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
NPC1 O15118 3/20 0.62
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 4/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
PLA2G4B P0C869 3/20 0.53
PRSS1 P07477 1/20 0.53
ACR P10323 1/20 0.53
MEN1 O00255 1/20 0.51

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
SCHEMBL303090 0.94 LMNA (0.69) LMNANPC1NFKB1NFKB2RELA
SCHEMBL304012 0.94 HDAC3 (0.53) LMNANPC1NFKB1NFKB2RELA
SCHEMBL13038199 0.94 LMNA (0.69) LMNANPC1NFKB1NFKB2RELA
SCHEMBL302600 0.94 LMNA (0.69) LMNANPC1NFKB1NFKB2RELA
SCHEMBL13309866 0.92 NPC1 (0.67) LMNANPC1NFKB1NFKB2RELA
SCHEMBL13309867 0.92 NPC1 (0.67) LMNANPC1NFKB1NFKB2RELA
SCHEMBL302878 0.89 LMNA (0.63) LMNANPC1NFKB1NFKB2RELA
SCHEMBL13038204 0.89 RARB (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL14125916 0.88 NPC1 (0.61) LMNANPC1NFKB1NFKB2RELA
SCHEMBL302884 0.86 LMNA (0.63) LMNANPC1NFKB1NFKB2RELA

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-8092712-B2 Bent-core LC decorated gold nanoclusters Ridout & Maybee LLP (CA) 2012-01-10 US disclosed
US-20110062385-A1 BENT-CORE LC DECORATED GOLD NANOCLUSTERS UNIVERSITY OF MANITOBA (CA) 2011-03-17 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-20110062385-A1 BENT-CORE LC DECORATED GOLD NANOCLUSTERS SLC6A13, SLC6A6, LGALS3 LMNA 1010/4885NPC1 972/4885NFKB1 2588/4885

“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.