SCHEMBL12676362

SCHEMBL12676362

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NOTUM Q6P988 2/20 0.36
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ PTPN5 P54829 1/20 0.31
▸ TAS2R14 Q9NYV8 1/20 0.31
▸ HTR2C P28335 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1898926 0.88 MAPT (0.52) MAPTGAANOTUMPTPN5HTR2C
SCHEMBL13454078 0.81 GAA (0.44) MAPTGAANOTUMPTPN5TAS2R14
SCHEMBL15516662 0.79 NOTUM (0.46) NOTUMP2RX4P2RX7ACP1PTPN5
SCHEMBL5329450 0.78 MAPT (0.57) MAPTGAAHTR2CTP53RECQL
SCHEMBL13454046 0.77 GAA (0.41) MAPTGAANOTUM
SCHEMBL15517168 0.76 NOTUM (0.41) NOTUMP2RX4P2RX7ACP1PTPN5
SCHEMBL12676374 0.76 GAA (0.56) MAPTGAANOTUMPTPN5TP53
SCHEMBL12676364 0.75 HTR2C (0.55) MAPTGAAHTR2C
SCHEMBL12676292 0.75 GAA (0.42) MAPTGAANOTUMTDP1
SCHEMBL12676291 0.75 GAA (0.46) MAPTGAANOTUMHTR2C

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 259/4885GAA 48/4885NOTUM 1604/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885NOTUM 1604/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885NOTUM 1604/4885

“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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