SCHEMBL23975141

SCHEMBL23975141

O=C(NCCOCCOCCOC1CCCCC1)C1=CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CCR2 P41597 1/20 0.38
P2RX7 Q99572 1/20 0.35
CXCR4 P61073 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
EPHX1 P07099 1/20 0.34
ACHE P22303 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL30465000 0.79 CTSK (0.52) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL29088335 0.79 CTSK (0.52) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL29088342 0.79 CTSK (0.46) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL30465004 0.79 CTSK (0.46) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL21842292 0.73 MEN1 (0.40) SMN1; SMN2NPC1EPHX1EPHX2ADRB2
SCHEMBL23975144 0.72 SMN1; SMN2 (0.46) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL11910893 0.72 SMN1; SMN2 (0.46) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL10506791 0.68 CTSK (0.45) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL11904567 0.67 HDAC2 (0.49) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL23568280 0.67 MTNR1A (0.34) SMN1; SMN2NPC1RAB9AEPHX1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 HDAC2 2236/4885HDAC4 1909/4885HDAC8 2365/4885

“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.