SCHEMBL13023077

SCHEMBL13023077

CC(C)(O)C#Cc1cccc(NC(=O)c2ccc(N)cc2C(=O)Nc2cccc(C#CC(C)(C)O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ IKBKB O14920 5/20 0.42
▸ EGFR P00533 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL13022960 0.83 LMNA (0.47) PTGS1IKBKBEGFRLMNAL3MBTL1
SCHEMBL13023070 0.83 LMNA (0.47) PTGS1IKBKBEGFRMEN1KMT2A
SCHEMBL13023053 0.80 MEN1 (0.62) ALDH1A1SMN1; SMN2HTTPTGS1EGFR
SCHEMBL13400502 0.79 KCNK3 (0.50) EGFRMEN1KMT2ALMNAL3MBTL1
SCHEMBL13066086 0.79 PTGS1 (0.50) ALDH1A1SMN1; SMN2PTGS1MAPTDDX3X
SCHEMBL31536128 0.78 KDR (0.42) EGFRMEN1KMT2A
SCHEMBL845317 0.78 GRM5 (0.52) ALDH1A1SMN1; SMN2IKBKBEGFRMEN1
SCHEMBL31536162 0.76 PIK3C3 (0.41) EGFR
SCHEMBL13132819 0.76 L3MBTL1 (0.47) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL13132849 0.76 SIRT1 (0.49) ALDH1A1MEN1KMT2ALMNAL3MBTL1

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 ALDH1A1 1480/4885SMN1; SMN2 2822/4885HTT 928/4885

“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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