SCHEMBL12676306

SCHEMBL12676306

O=C1CC(=O)CC(c2cc(-c3ccco3)cc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ NOTUM Q6P988 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ RHOA P61586 1/20 0.34
▸ TDP2 O95551 2/20 0.34
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ RECQL P46063 2/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL13454133 0.81 TDP1 (0.48) MAPTTDP1KMT2APOLBNPSR1
SCHEMBL12676273 0.81 MAPT (0.48) MAPTTDP1KMT2APOLBNPSR1
SCHEMBL12676374 0.80 GAA (0.56) MAPTGAANOTUMNPC1RECQL
SCHEMBL13454061 0.80 TDP1 (0.56) MAPTTDP1KMT2APOLBNPSR1
SCHEMBL12676291 0.79 GAA (0.46) MAPTGAANOTUMPGR
SCHEMBL13454064 0.79 MAPT (0.51) MAPTTDP1KMT2APOLBNPSR1
SCHEMBL1898926 0.78 MAPT (0.52) MAPTTDP1KMT2APOLBNPSR1
SCHEMBL12676292 0.76 GAA (0.42) MAPTTDP1GAANOTUMTDP2
SCHEMBL12676305 0.76 GAA (0.46) MAPTGAANOTUMGPBAR1RECQL
SCHEMBL12676272 0.76 GAA (0.43) MAPTGAANOTUM

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 MAPT 259/4885TDP1 77/4885KMT2A 2455/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885TDP1 77/4885KMT2A 2455/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885TDP1 77/4885KMT2A 2455/4885

“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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