SCHEMBL12676374

SCHEMBL12676374

O=C1CC(=O)CC(c2cc(-c3ccccc3)cc(C(F)(F)F)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ RXRA P19793 3/20 0.39
▸ RXRB P28702 3/20 0.39
▸ RXRG P48443 3/20 0.39
▸ GLO1 Q04760 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL12676291 0.90 GAA (0.46) GAAMAPTKIF11NOTUMKDM1A
SCHEMBL12676292 0.87 GAA (0.42) GAAMAPTRXRARXRBRXRG
SCHEMBL12676272 0.87 GAA (0.43) GAAMAPTNOTUMKDM1ABACE1
SCHEMBL12676293 0.85 GAA (0.42) GAAMAPTNOTUMKDM1ATP53
SCHEMBL12676316 0.85 GAA (0.49) GAAMAPTKIF11RXRARXRB
SCHEMBL12676359 0.85 MAPT (0.66) GAAMAPTGLO1TP53RECQL
SCHEMBL12676305 0.84 GAA (0.46) GAAMAPTNOTUMTP53RECQL
SCHEMBL12676267 0.84 GAA (0.46) GAAMAPTNOTUMTP53RECQL
SCHEMBL1898926 0.83 MAPT (0.52) GAAMAPTNOTUMKDM1ATP53
SCHEMBL12676360 0.83 GAA (0.45) GAAMAPTNOTUMTP53RECQL

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 259/4885SLC6A2 2504/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GAA 48/4885MAPT 259/4885SLC6A2 2504/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GAA 48/4885MAPT 259/4885SLC6A2 2504/4885

“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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