SCHEMBL13022991

SCHEMBL13022991

CC(C)(O)C#Cc1cccc(OC(=O)Oc2cc(N)cc(N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 4/20 0.50
▸ LMNA P02545 3/20 0.39
▸ MAP3K14 Q99558 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL13400534 0.88 HAO1 (0.48) HAO1LMNAEGFRL3MBTL1ACACB
SCHEMBL13023078 0.84 HAO1 (0.49) HAO1LMNAMAP3K14EGFRL3MBTL1
SCHEMBL13023074 0.78 EGFR (0.43) HAO1LMNAEGFRL3MBTL1ALDH1A1
SCHEMBL13022987 0.78 FABP7 (0.50) HAO1LMNAMEN1KMT2ACYP3A4
SCHEMBL13023059 0.75 FABP7 (0.50) HAO1MEN1KMT2ACYP3A4CA12
SCHEMBL30092382 0.74 MAP3K14 (0.45) HAO1MAP3K14EGFRL3MBTL1ALDH1A1
SCHEMBL471131 0.74 MAP3K14 (0.45) HAO1MAP3K14EGFRL3MBTL1ALDH1A1
SCHEMBL23025722 0.73 HAO1 (0.47) HAO1LMNAMAP3K14EGFRL3MBTL1
SCHEMBL13300036 0.73 EGFR (0.39) HAO1LMNAEGFRL3MBTL1ALDH1A1
SCHEMBL11443850 0.72 HAO1 (0.46) HAO1LMNAMAP3K14EGFRL3MBTL1

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — US disclosed
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 2104/4885LMNA 413/4885MAP3K14 3061/4885

“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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