SCHEMBL2353593

SCHEMBL2353593

CCCCOc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)[nH]n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.71
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP19A1 P11511 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 6/20 0.52
MAPK1 P28482 1/20 0.52
PLA2G2A P14555 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.48
RET P07949 1/20 0.47
CYP3A4 P08684 1/20 0.47
STK25 O00506 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
RARB P10826 1/20 0.45

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
SCHEMBL2368455 0.98 ALPL (0.68) ALPLRAB9ANPC1CYP1A2CYP2D6
SCHEMBL7329944 0.97 ALPL (0.67) ALPLRAB9ANPC1CYP1A2CYP2D6
SCHEMBL2349458 0.97 ALPL (0.67) ALPLRAB9ANPC1CYP1A2CYP2D6
SCHEMBL12243302 0.91 NPC1 (0.70) ALPLRAB9ANPC1MAPTMAPK1
SCHEMBL12243212 0.88 ALPL (0.60) ALPLRAB9ANPC1CYP1A2CYP2D6
SCHEMBL2367633 0.88 RARB (0.60) ALPLRAB9ANPC1CYP1A2CYP2D6
SCHEMBL2368000 0.86 RARB (0.64) ALPLCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL7334165 0.86 RARB (0.64) ALPLCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL2368650 0.86 ALPL (0.55) ALPLRAB9ANPC1CYP1A2CYP2D6
SCHEMBL7332145 0.85 RARB (0.67) ALPLCYP1A2CYP2D6CYP19A1CYP2C9

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 ALPL 1963/4885RAB9A 2480/4885NPC1 506/4885

“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.