SCHEMBL7737574

SCHEMBL7737574

CC(=O)c1ccc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.62
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
P2RY14 Q15391 1/20 0.55
MAOA P21397 3/20 0.54
SMPD1 P17405 1/20 0.54
FFAR1 O14842 1/20 0.53
LMNA P02545 1/20 0.53
ALOX5 P09917 1/20 0.53
GSTP1 P09211 1/20 0.52

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
SCHEMBL6054433 0.87 MAOB (0.82) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL12243083 0.86 ALOX5 (0.53) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL7739310 0.86 NPC1 (0.63) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL3722771 0.83 MAOB (0.60) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL9126144 0.83 MAOB (0.90) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6338480 0.82 MAOB (0.73) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL23483149 0.81 ALOX5 (0.79) MAPTNPC1P2RY14SMPD1FFAR1
SCHEMBL5921632 0.80 MRGPRX4 (0.76) MAOBALDH1A1SMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL8380168 0.79 MRGPRX4 (0.74) MAOBALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL5582767 0.78 NR4A2 (0.81) MAOBSMN1; SMN2NPC1FFAR1ALOX5

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 9 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
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-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 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 MAOB 3765/4885ALDH1A1 4746/4885HTT 1603/4885

“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.