SCHEMBL2356522

SCHEMBL2356522

CCCCCCOc1ccc(-c2nc(-c3ccc(C(=O)O)cc3)co2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.67
TP53 P04637 1/20 0.64
TSHR P16473 1/20 0.64
PLA2G4B P0C869 8/20 0.62
PTPN11 Q06124 3/20 0.60
PLA2G4A P47712 1/20 0.57
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2362233 1.00 RARB (0.67) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL12243195 0.91 GAA (0.55) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL16199805 0.91 RARB (0.53) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL12243186 0.91 GAA (0.55) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL12294464 0.90 RARB (0.52) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL2357337 0.89 RARB (0.51) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL12243294 0.89 RARB (0.51) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL12243345 0.88 RARB (0.50) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL12243297 0.87 PLA2G4B (0.52) RARBTP53PLA2G4BKDM4ENPC1
SCHEMBL12243098 0.86 RARB (0.47) RARBTP53TSHRPLA2G4BPTPN11

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
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
EP-2350119-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE Merlion Pharmaceuticals Pte Ltd. (SG) 2011-08-03 EP disclosed
WO-2010062264-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 RARB 2792/4885TP53 3875/4885TSHR 2537/4885

“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.