SCHEMBL2355261

SCHEMBL2355261

CCCCCc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)no2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.64
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
RARA P10276 1/20 0.63
MAPT P10636 1/20 0.63
MTOR P42345 1/20 0.63
KMT2A Q03164 1/20 0.63
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
ABCB1 P08183 1/20 0.53
ABCC1 P33527 1/20 0.53
CTRC Q99895 1/20 0.52
TP53 P04637 1/20 0.48
MPL P40238 1/20 0.47

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
SCHEMBL12243263 0.99 RARB (0.65) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2350629 0.99 RARB (0.65) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL12243251 0.96 RARB (0.63) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2352909 0.96 RARB (0.63) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2355983 0.91 NPC1 (0.58) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL12243228 0.90 RARB (0.50) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL12243111 0.89 RARB (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL12243223 0.89 RARB (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL12243234 0.89 RARB (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2362743 0.88 MAPT (0.57) RARBMEN1ALDH1A1RARAMAPT

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 11 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
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
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
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
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US 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
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 2792/4885MEN1 2415/4885ALDH1A1 4746/4885

“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.