SCHEMBL13023078

SCHEMBL13023078

CC(C)(O)C#Cc1cccc(OC(=O)c2cc(N)cc(C(=O)Oc3cccc(C#CC(C)(C)O)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 2/20 0.49
▸ PRSS1 P07477 2/20 0.40
▸ ACR P10323 2/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL13022991 0.84 HAO1 (0.50) HAO1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL14501370 0.80 PRSS1 (0.48) HAO1PRSS1ACRMAPTESR1
SCHEMBL13023050 0.79 FABP7 (0.49) HAO1PRSS1ACRMAPTESR1
SCHEMBL13066087 0.78 PRSS1 (0.45) PRSS1ACRMAPTESR1ESR2
SCHEMBL13400534 0.77 HAO1 (0.48) HAO1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL13022936 0.76 FABP7 (0.49) HAO1PRSS1ACRMAPTESR1
SCHEMBL14501371 0.76 ESR1 (0.50) HAO1PRSS1ACRMAPTESR1
SCHEMBL13023070 0.75 LMNA (0.47) LMNAMAPTNR1H4L3MBTL1EGFR
SCHEMBL471131 0.73 MAP3K14 (0.45) HAO1MAPTALDH1A1L3MBTL1MAP3K14
SCHEMBL30092382 0.73 MAP3K14 (0.45) HAO1MAPTALDH1A1L3MBTL1MAP3K14

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 HAO1 2104/4885PRSS1 2206/4885ACR 522/4885

“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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