SCHEMBL2356972

SCHEMBL2356972

CCCCCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.61
NR5A1 Q13285 1/20 0.59
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
LTA4H P09960 3/20 0.53
CYP19A1 P11511 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.52
PLA2G4B P0C869 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7697448 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL12972983 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL2356412 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL1792760 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL4867079 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL2357155 0.98 CYP2D6 (0.59) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL7330936 0.94 CYP2D6 (0.63) RARBCYP3A4CYP2D6LTA4HCYP19A1
SCHEMBL1102341 0.94 NR5A1 (0.66) RARBNR5A1LTA4HTP53TSHR
SCHEMBL8215140 0.94 NR5A1 (0.66) RARBNR5A1LTA4HTP53TSHR
SCHEMBL6740617 0.94 NR5A1 (0.66) RARBNR5A1LTA4HTP53TSHR

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
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP 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 2792/4885NR5A1 3242/4885CYP3A4 4760/4885

“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.