SCHEMBL12243191

SCHEMBL12243191

CCCCCCOc1ccc(-c2noc(-c3ccc(C(C)=O)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.59
S1PR3 Q99500 1/20 0.59
ACACB O00763 3/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
GAA P10253 1/20 0.57
RARB P10826 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 1/20 0.51
ACACA Q13085 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CXCR1 P25024 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 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
SCHEMBL2350982 0.91 RARB (0.70) S1PR1S1PR3ACACBNPC1RAB9A
SCHEMBL16199815 0.91 S1PR1 (0.59) S1PR1S1PR3ACACBNPC1RAB9A
SCHEMBL12294471 0.89 S1PR1 (0.58) S1PR1S1PR3ACACBNPC1RAB9A
SCHEMBL13926721 0.89 S1PR1 (0.69) S1PR1S1PR3ACACBNPC1RAB9A
SCHEMBL7340382 0.88 S1PR1 (0.57) S1PR1S1PR3ACACBNPC1RAB9A
SCHEMBL12243096 0.88 S1PR1 (0.59) S1PR1S1PR3ACACBNPC1RAB9A
SCHEMBL12243347 0.87 S1PR1 (0.56) S1PR1S1PR3ACACBNPC1RAB9A
SCHEMBL12270837 0.85 S1PR1 (0.64) S1PR1S1PR3ACACBNPC1RAB9A
SCHEMBL12243177 0.83 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL15177348 0.83 GAA (0.77) GAARARBL3MBTL1TP53TSHR

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 4 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-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

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 S1PR1 661/4885S1PR3 720/4885ACACB 2031/4885

“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.