SCHEMBL6340455

SCHEMBL6340455

CC(C)C[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.58
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MME P08473 1/20 0.47
PSMB5 P28074 3/20 0.46
PSMB8 P28062 1/20 0.46
ACE P12821 4/20 0.45

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
SCHEMBL3324393 0.86 LTA4H (0.49) RENNPC1RAB9AMMEPSMB5
SCHEMBL5709671 0.83 PSEN1 (0.59) REN
SCHEMBL9282508 0.83 PSEN1 (0.59) REN
SCHEMBL4687328 0.82 NPC1 (0.50) NPC1RAB9A
SCHEMBL6193303 0.81 NPC1 (0.56) NPC1RAB9AMME
SCHEMBL3627449 0.81 NPC1 (0.56) NPC1RAB9AMME
SCHEMBL4687372 0.81 NPC1 (0.56) NPC1RAB9AMME
SCHEMBL6192393 0.81 NPC1 (0.56) NPC1RAB9AMME
SCHEMBL27418997 0.81 NPC1 (0.56) NPC1RAB9AMME
SCHEMBL27798809 0.81 NPC1 (0.56) NPC1RAB9AMME

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-6906104-B2 Aminediols for the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY (US) 2005-06-14 US disclosed
US-20030092747-A1 Aminediols for the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY 2003-05-15 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-20030092747-A1 Aminediols for the treatment of Alzheimer's disease BACE1, APP, BACE2 REN 2055/4885NPC1 703/4885RAB9A 3696/4885

“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.