SCHEMBL13454121

SCHEMBL13454121

Cc1cc(-c2ccccc2F)cc(C2CC(=O)CC(=O)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PTPRC P08575 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PGR P06401 2/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GRIA2 P42262 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
SCHEMBL12676280 0.84 GAA (0.45) GAAMAPTPTPRCPTPN1ERN1
SCHEMBL13454118 0.84 TP53 (0.48) GAAMAPTTNKS2ERN1TP53
SCHEMBL13454128 0.83 GAA (0.42) GAAMAPT
SCHEMBL12676305 0.82 GAA (0.46) GAAMAPTPTPRCPTPN1TP53
SCHEMBL13454123 0.81 MAPT (0.56) GAAMAPTTDP1TP53RECQL
SCHEMBL13454122 0.79 MAPT (0.41) GAAMAPTTNKS2L3MBTL1TDP1
SCHEMBL13454127 0.78 MAPT (0.41) GAAMAPTTNKS2L3MBTL1TP53
SCHEMBL12676490 0.75 MAPT (0.52) GAAMAPTTDP1TP53RECQL
SCHEMBL30659234 0.74 PTPRC (0.46) PTPRCPTPN1TNKSTNKS2L3MBTL1
SCHEMBL13454131 0.73 MAPT (0.41) GAAMAPTTP53RECQLPGR

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 6 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

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 259/4885PTPRC 4676/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GAA 48/4885MAPT 259/4885PTPRC 4676/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GAA 48/4885MAPT 259/4885PTPRC 4676/4885

“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