SCHEMBL13454059

SCHEMBL13454059

O=C1CC(=O)CC(c2ccccc2-c2ccoc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ BRD4 O60885 1/20 0.38
▸ IMPDH2 P12268 2/20 0.36
▸ ADRA1D P25100 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ NAT1 P18440 3/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ AR P10275 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL13454056 0.80 TP53 (0.58) TP53RECQLMAPTGAAKMT2A
SCHEMBL13454062 0.74 NPSR1 (0.54) TP53RECQLMAPTGAAKMT2A
SCHEMBL13454058 0.73 MAPT (0.50) TP53RECQLMAPTGAAKMT2A
SCHEMBL13454060 0.72 MAPT (0.49) TP53RECQLMAPTGAAKMT2A
SCHEMBL1780877 0.70 TP53 (0.61) TP53RECQLMAPTGAAKMT2A
SCHEMBL13453997 0.70 MAPT (0.53) TP53RECQLMAPTGAAKMT2A
SCHEMBL12676319 0.67 MAPT (0.39) TP53RECQLMAPTGAAKMT2A
SCHEMBL30472846 0.66 TP53 (0.61) TP53RECQLMAPTGAAKMT2A
SCHEMBL1781042 0.66 TP53 (0.61) TP53RECQLMAPTGAAKMT2A
SCHEMBL11265020 0.66 TP53 (0.61) TP53RECQLMAPTGAAKMT2A

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-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

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 TP53 4547/4885RECQL 527/4885MAPT 259/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B TP53 4547/4885RECQL 527/4885MAPT 259/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B TP53 4547/4885RECQL 527/4885MAPT 259/4885

“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.

Send feedback