SCHEMBL6470550

SCHEMBL6470550

CC(C)(CCN)COC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6391146 0.90 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL6389445 0.89 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2206330 0.86 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL13054012 0.85 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL6471479 0.83 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL3044566 0.82 MEN1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL6469002 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL21572802 0.81 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL3951259 0.81 KMT2A (0.36) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL10263847 0.81 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A

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-1495034-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2005-01-12 EP disclosed
US-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses ESPERION THERAPEUTICS 2003-12-25 US disclosed
WO-2003087040-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 WO 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-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses COASY, HMGCR, ACACA MEN1 1450/4885KMT2A 1780/4885KDM4C 3643/4885

“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.