SCHEMBL13132736

SCHEMBL13132736

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ MITF O75030 2/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPSE Q9Y251 1/20 0.45
▸ HAO1 Q9UJM8 1/20 0.44
▸ CBS P35520 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ GFER P55789 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
SCHEMBL13132566 0.97 NPC1 (0.46) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL13132714 0.91 NPC1 (0.47) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL13132849 0.90 SIRT1 (0.49) MEN1KMT2ALMNAHPSEALDH1A1
SCHEMBL13132560 0.89 NPC1 (0.47) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL13132819 0.88 L3MBTL1 (0.47) MEN1KMT2ALMNAHPSEALDH1A1
SCHEMBL13132845 0.85 HDAC3 (0.47) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL13132850 0.85 HDAC3 (0.47) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL13132700 0.84 NPC1 (0.50) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL13132717 0.84 PTPN11 (0.61) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL13132821 0.82 HDAC3 (0.47) NPC1RAB9AMEN1KMT2ALMNA

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 NPC1 1210/4885RAB9A 2181/4885MITF 972/4885

“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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