SCHEMBL12676316

SCHEMBL12676316

O=C1CC(=O)CC(c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RXRA P19793 7/20 0.46
▸ RXRB P28702 7/20 0.46
▸ RXRG P48443 6/20 0.46
▸ KDM1A O60341 2/20 0.40
▸ HTR2C P28335 2/20 0.37
▸ NAAA Q02083 1/20 0.36
▸ P2RY14 Q15391 2/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ KIF11 P52732 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
SCHEMBL13454135 0.90 MAPT (0.42) GAAMAPTRXRARXRBRXRG
SCHEMBL12676292 0.87 GAA (0.42) GAAMAPTRXRARXRBRXRG
SCHEMBL12676374 0.85 GAA (0.56) GAAMAPTRXRARXRBRXRG
SCHEMBL1898926 0.84 MAPT (0.52) GAAMAPTKDM1AHTR2C
SCHEMBL5329450 0.84 MAPT (0.57) GAAMAPTKDM1AHTR2C
SCHEMBL12676291 0.81 GAA (0.46) GAAMAPTKDM1AHTR2CKIF11
SCHEMBL12676272 0.78 GAA (0.43) GAAMAPTKDM1AHTR2CBACE1
SCHEMBL427824 0.77 HTR2C (0.53) GAAMAPTKDM1AHTR2C
SCHEMBL12676320 0.77 GAA (0.45) GAAMAPTRXRARXRBKDM1A
SCHEMBL12676293 0.77 GAA (0.42) GAAMAPTKDM1ATDP2

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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