SCHEMBL12676292

SCHEMBL12676292

O=C1CC(=O)CC(c2cc(-c3ccc(F)cc3)cc(C(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RXRA P19793 3/20 0.38
▸ RXRB P28702 3/20 0.38
▸ RXRG P48443 3/20 0.38
▸ NOTUM Q6P988 1/20 0.36
▸ MAP1LC3B Q9GZQ8 1/20 0.34
▸ TACR1 P25103 6/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12676374 0.87 GAA (0.56) GAAMAPTRXRARXRBRXRG
SCHEMBL12676316 0.87 GAA (0.49) GAAMAPTRXRARXRBRXRG
SCHEMBL12676598 0.87 MAPT (0.47) GAAMAPTMAP1LC3BL3MBTL1ATM
SCHEMBL12676272 0.85 GAA (0.43) GAAMAPTNOTUMKDM1AL3MBTL1
SCHEMBL12676291 0.83 GAA (0.46) GAAMAPTNOTUMKCNH2KDM1A
SCHEMBL1898926 0.82 MAPT (0.52) GAAMAPTNOTUMTACR1KDM1A
SCHEMBL13454135 0.81 MAPT (0.42) GAAMAPTRXRARXRBRXRG
SCHEMBL12676305 0.80 GAA (0.46) GAAMAPTNOTUM
SCHEMBL13454122 0.80 MAPT (0.41) GAAMAPTMAP1LC3BL3MBTL1ATM
SCHEMBL12676293 0.79 GAA (0.42) GAAMAPTNOTUMKDM1ATDP2

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 7 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
WO-2011059821-A2 CYCLOHEXANE-1,3-DIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO 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 GAA 48/4885MAPT 259/4885RXRA 2639/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GAA 48/4885MAPT 259/4885RXRA 2639/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GAA 48/4885MAPT 259/4885RXRA 2639/4885

“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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