SCHEMBL13454122

SCHEMBL13454122

Cc1cc(-c2ccc(F)cc2)cc(C2CC(=O)CC(=O)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOB P27338 4/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL12676598 0.89 MAPT (0.47) MAPTGAAL3MBTL1TDP1MAOB
SCHEMBL13454123 0.85 MAPT (0.56) MAPTGAATDP1MAOB
SCHEMBL13454127 0.85 MAPT (0.41) MAPTGAAL3MBTL1MAOBATM
SCHEMBL12676292 0.80 GAA (0.42) MAPTGAAL3MBTL1TDP1MAP1LC3B
SCHEMBL13454121 0.79 GAA (0.45) MAPTGAAL3MBTL1TDP1MAOB
SCHEMBL12676318 0.79 MAPT (0.51) MAPTGAAL3MBTL1TDP1MAOB
SCHEMBL12676490 0.79 MAPT (0.52) MAPTGAATDP1MAOBMAP1LC3B
SCHEMBL13454135 0.77 MAPT (0.42) MAPTGAAL3MBTL1
SCHEMBL13454131 0.76 MAPT (0.41) MAPTGAAMAOB
SCHEMBL13454126 0.76 KDM1A (0.41) MAPTGAAMAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593069-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2017-03-14 — — US disclosed
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2016-02-11 — — US disclosed
US-9162968-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2015-10-20 — — US disclosed
US-20140371313-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2014-12-18 — — US disclosed
US-8722939-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2014-05-13 — — US disclosed
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS, INC. (US) 2012-10-18 — — 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 (3 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-20140371313-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885L3MBTL1 2655/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885L3MBTL1 2655/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885L3MBTL1 2655/4885

“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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