SCHEMBL12243296

SCHEMBL12243296

CCOc1ccc(-c2nc(-c3ccc(C(=O)OC)cc3)co2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
ENPP3 O14638 1/20 0.49
ENPP1 P22413 1/20 0.49
MAPT P10636 7/20 0.48
ALDH1A1 P00352 3/20 0.47
ADORA3 P0DMS8 1/20 0.46
THRB P10828 2/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL12243297 0.88 PLA2G4B (0.52) NPC1RAB9AENPP3ENPP1ALDH1A1
SCHEMBL12243294 0.88 RARB (0.51) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL2357337 0.88 RARB (0.51) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL16378629 0.87 ENPP3 (0.64) NPC1RAB9AENPP3ENPP1MAPT
SCHEMBL7220934 0.87 ENPP3 (0.64) NPC1RAB9AENPP3ENPP1MAPT
SCHEMBL7221412 0.83 ENPP3 (0.62) NPC1RAB9AENPP3ENPP1MAPT
SCHEMBL16199782 0.83 CA1 (0.56) NPC1RAB9AENPP3ENPP1MAPT
SCHEMBL1000268 0.82 RAB9A (0.51) NPC1RAB9AENPP3ENPP1MAPT
SCHEMBL7221944 0.82 ALDH1A1 (0.54) NPC1RAB9AENPP3ENPP1MAPT
SCHEMBL7217142 0.82 ENPP3 (0.48) NPC1RAB9AENPP3ENPP1MAPT

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 2 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-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 NPC1 506/4885RAB9A 2480/4885ENPP3 380/4885

“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.