SCHEMBL13132819

SCHEMBL13132819

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HPSE Q9Y251 1/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ GPR17 Q13304 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TIMP3 P35625 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ TEK Q02763 1/20 0.41

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
SCHEMBL13132849 0.97 SIRT1 (0.49) L3MBTL1LMNASIRT1MAPTHPSE
SCHEMBL13132820 0.94 HDAC3 (0.47) L3MBTL1LMNASIRT1MAPTHPSE
SCHEMBL13132821 0.94 HDAC3 (0.47) L3MBTL1LMNASIRT1MAPTHPSE
SCHEMBL13132845 0.92 HDAC3 (0.47) L3MBTL1LMNASIRT1MAPTHPSE
SCHEMBL13132850 0.92 HDAC3 (0.47) L3MBTL1LMNASIRT1MAPTHPSE
SCHEMBL13132566 0.90 NPC1 (0.46) L3MBTL1LMNAMAPTHPSEMEN1
SCHEMBL13132736 0.88 NPC1 (0.46) LMNASIRT1MAPTHPSEMEN1
SCHEMBL13023070 0.88 LMNA (0.47) L3MBTL1LMNAMAPTMEN1KMT2A
SCHEMBL13023726 0.87 L3MBTL1 (0.46) L3MBTL1LMNASIRT1MAPTMEN1
SCHEMBL13400502 0.86 KCNK3 (0.50) L3MBTL1LMNAMAPTMEN1KMT2A

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 L3MBTL1 2524/4885LMNA 1650/4885SIRT1 17/4885

“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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