SCHEMBL2457928

SCHEMBL2457928

CCN(CC)CCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 1.00
▸ CYP2D6 P10635 2/20 1.00
▸ THPO P40225 2/20 1.00
▸ MTOR P42345 2/20 1.00
▸ MEN1 O00255 2/20 0.97
▸ KMT2A Q03164 2/20 0.97
▸ PMP22 Q01453 1/20 0.97
▸ SCN1A P35498 2/20 0.66
▸ SCN2A Q99250 2/20 0.66
▸ SCN3A Q9NY46 2/20 0.66
▸ ABCB1 P08183 4/20 0.60
▸ ABCC1 P33527 4/20 0.60
▸ ABCG2 Q9UNQ0 4/20 0.60
▸ SLC29A1 Q99808 4/20 0.60
▸ CA12 O43570 3/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ ABCC4 O15439 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54

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
SCHEMBL2454357 1.00 CYP3A4 (1.00) CYP3A4CYP2D6THPOMTORMEN1
SCHEMBL2173737 1.00 CYP3A4 (1.00) CYP3A4CYP2D6THPOMTORMEN1
Hydrochloric Acid SCHEMBL5682553 0.99 KMT2A (1.00) CYP3A4CYP2D6THPOMTORMEN1
Hydrochloric Acid SCHEMBL29361001 0.99 KMT2A (1.00) CYP3A4CYP2D6THPOMTORMEN1
Butanedione SCHEMBL8444179 0.96 CYP3A4 (0.93) CYP3A4CYP2D6THPOMTORMEN1
SCHEMBL29759108 0.89 CYP2D6 (0.80) CYP3A4CYP2D6THPOMTORMEN1
Hydrochloric Acid SCHEMBL7883012 0.85 MEN1 (0.77) CYP3A4CYP2D6THPOMTORMEN1
SCHEMBL9681943 0.85 CYP3A4 (0.73) CYP3A4CYP2D6THPOMTORMEN1
SCHEMBL9680878 0.85 CYP3A4 (0.73) CYP3A4CYP2D6THPOMTORMEN1
SCHEMBL9680837 0.85 CYP3A4 (0.73) CYP3A4CYP2D6THPOMTORMEN1

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
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 — — WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 — — US disclosed
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 — — 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF CYP3A4 4853/4885CYP2D6 4689/4885THPO 4150/4885

“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.

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