SCHEMBL13132849

SCHEMBL13132849

CC(C)(O)C#Cc1cccc(NC(=O)Nc2cc(NC(=O)Nc3cccc(C#CC(C)(C)O)c3)cc(C(=O)Nc3cccc(C#CC(C)(C)O)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ GPR17 Q13304 1/20 0.45
▸ KCNK9 Q9NPC2 3/20 0.45
▸ HPSE Q9Y251 1/20 0.45
▸ TOP1 P11387 1/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ KCNK3 O14649 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SMO Q99835 1/20 0.42

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
SCHEMBL13132819 0.97 L3MBTL1 (0.47) SIRT1LMNAL3MBTL1MEN1KMT2A
SCHEMBL13132845 0.94 HDAC3 (0.47) SIRT1LMNAL3MBTL1MEN1KMT2A
SCHEMBL13132850 0.94 HDAC3 (0.47) SIRT1LMNAL3MBTL1MEN1KMT2A
SCHEMBL13132821 0.92 HDAC3 (0.47) SIRT1LMNAL3MBTL1MEN1KMT2A
SCHEMBL13132820 0.92 HDAC3 (0.47) SIRT1LMNAL3MBTL1MEN1KMT2A
SCHEMBL13132736 0.90 NPC1 (0.46) SIRT1LMNAMEN1KMT2AMAPT
SCHEMBL13132566 0.88 NPC1 (0.46) LMNAL3MBTL1MEN1KMT2AMAPT
SCHEMBL13023613 0.87 LMNA (0.46) LMNAL3MBTL1MEN1KMT2AMAPT
SCHEMBL13400502 0.86 KCNK3 (0.50) LMNAL3MBTL1MEN1KMT2AMAPT
SCHEMBL13023070 0.85 LMNA (0.47) LMNAL3MBTL1MEN1KMT2AMAPT

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 — — 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B SIRT1 17/4885LMNA 1650/4885L3MBTL1 2524/4885

“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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