SCHEMBL12243302

SCHEMBL12243302

CCOc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)n[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
ALDH1A1 P00352 4/20 0.59
ALPL P05186 3/20 0.58
MAPT P10636 9/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 2/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ADORA3 P0DMS8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2353593 0.91 ALPL (0.71) NPC1RAB9AALDH1A1ALPLMAPT
SCHEMBL2368455 0.89 ALPL (0.68) NPC1RAB9AALDH1A1ALPLMAPT
SCHEMBL12243303 0.88 ALPL (0.68) NPC1RAB9AALDH1A1ALPLMAPT
SCHEMBL2349458 0.88 ALPL (0.67) NPC1RAB9AALPLMAPTMAPK1
SCHEMBL7329944 0.88 ALPL (0.67) NPC1RAB9AALPLMAPTMAPK1
SCHEMBL14985491 0.83 GAA (0.63) NPC1RAB9AALDH1A1ALPLMAPT
SCHEMBL26094639 0.82 MAP2K4 (0.56) NPC1RAB9AALPLMAPTMAPK1
SCHEMBL17279929 0.81 PRKD1 (0.54) NPC1RAB9AALPLMAPTMAPK1
SCHEMBL26915302 0.80 MAPT (0.50) NPC1RAB9AALPLMAPTMAPK1
SCHEMBL14926635 0.80 MAPT (0.68) NPC1RAB9AALDH1A1MAPTLMNA

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 2480/4885ALDH1A1 4746/4885

“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.