SCHEMBL13454127

SCHEMBL13454127

Cc1cc(-c2cccc(F)c2)cc(C2CC(=O)CC(=O)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ BACE1 P56817 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ATM Q13315 3/20 0.35
▸ PGR P06401 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP11 Q9NR21 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
SCHEMBL13454122 0.85 MAPT (0.41) MAPTGAATNKS2MAOBATM
SCHEMBL13454123 0.84 MAPT (0.56) MAPTGAAKDM4EALDH1A1MAOA
SCHEMBL13454131 0.84 MAPT (0.41) MAPTGAAGRM5KDM4EHPGD
SCHEMBL12676295 0.84 GAA (0.41) MAPTGAABACE1GRM5ALDH1A1
SCHEMBL13454126 0.83 KDM1A (0.41) MAPTGAAGRM5MAOBPGR
SCHEMBL12676272 0.82 GAA (0.43) MAPTGAABACE1ATML3MBTL1
SCHEMBL12676274 0.81 MAPT (0.51) MAPTGAABACE1MAOBATM
SCHEMBL13454121 0.78 GAA (0.45) MAPTGAATNKS2MAOBPGR
SCHEMBL12676320 0.78 GAA (0.45) MAPTGAAGRM5
SCHEMBL17521179 0.78 MAPT (0.42) MAPTGAABACE1L3MBTL1TP53

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 48/4885BACE1 47/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885BACE1 47/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885BACE1 47/4885

“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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