SCHEMBL2363108

SCHEMBL2363108

COC(=O)c1ccc(-c2cc(-c3ccc(OCCCC(C)C)cc3)on2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.52
CXCR1 P25024 9/20 0.51
RARB P10826 1/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 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
SCHEMBL2356688 0.94 SMPD1 (0.52) SMPD1CXCR1MAPTRAB9ANPC1
SCHEMBL12243222 0.90 CXCR1 (0.52) SMPD1CXCR1RARBMAPTGLA
SCHEMBL2363492 0.90 RARB (0.62) SMPD1CXCR1RARBRAB9ANPC1
SCHEMBL2351006 0.89 SMPD1 (0.65) SMPD1CXCR1MAPTRAB9ANPC1
SCHEMBL6132232 0.87 SMPD1 (0.57) SMPD1CXCR1MAPTRAB9ANPC1
SCHEMBL7333704 0.87 SMPD1 (0.63) SMPD1CXCR1RARBMAPTRAB9A
SCHEMBL6132917 0.87 SMPD1 (0.57) SMPD1CXCR1MAPTRAB9ANPC1
SCHEMBL5147869 0.87 SMPD1 (0.63) SMPD1CXCR1RARBMAPTRAB9A
SCHEMBL12243105 0.86 CXCR1 (0.52) SMPD1CXCR1RARBRAB9ANPC1
SCHEMBL2356088 0.86 SMPD1 (0.61) SMPD1CXCR1RARBMAPTRAB9A

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 SMPD1 148/4885CXCR1 301/4885RARB 2792/4885

“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.