SCHEMBL20023053

SCHEMBL20023053

COc1ccc(C(=O)CCCCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
PDE4B Q07343 1/20 0.58
HDAC8 Q9BY41 4/20 0.53
HDAC1 Q13547 4/20 0.53
MAPT P10636 3/20 0.52
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
KMT2A Q03164 2/20 0.49
EGFR P00533 2/20 0.47
DPP4 P27487 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 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
SCHEMBL20023062 1.00 NPC1 (0.60) NPC1RAB9APDE4BHDAC8HDAC1
SCHEMBL20023061 0.99 NPC1 (0.62) NPC1RAB9APDE4BHDAC8HDAC1
SCHEMBL20023091 0.96 PDE4B (0.63) NPC1RAB9APDE4BHDAC8HDAC1
SCHEMBL20023080 0.91 NPC1 (0.65) NPC1RAB9APDE4BMAPTKMT2A
SCHEMBL20023036 0.88 TDP1 (0.61) NPC1RAB9AHDAC8HDAC1MAPT
SCHEMBL20023137 0.88 NPC1 (0.60) NPC1RAB9APDE4BMAPTKMT2A
SCHEMBL20023054 0.87 EGFR (0.44) NPC1RAB9APDE4BHDAC8HDAC1
SCHEMBL20023032 0.87 TDP1 (0.58) NPC1RAB9AHDAC8HDAC1MAPT
SCHEMBL20023093 0.86 NPC1 (0.59) NPC1RAB9AMAPTEGFRDPP4
SCHEMBL20023068 0.86 HDAC3 (0.61) NPC1RAB9AHDAC8HDAC1HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA NPC1 254/4885RAB9A 2280/4885PDE4B 1462/4885

“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.