SCHEMBL16303260

SCHEMBL16303260

O=C1CC(=O)CC(c2cccc(-c3cc(Cl)cc(CF)c3)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TP53 P04637 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CHKA P35790 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LDHA P00338 1/20 0.32
▸ LDHB P07195 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ MAP1LC3B Q9GZQ8 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17521179 0.85 MAPT (0.42) GAAMAPTTP53RECQLNPSR1
SCHEMBL17521178 0.81 MAPT (0.55) GAAMAPTTP53RECQLNPSR1
SCHEMBL13454222 0.80 MAPT (0.45) GAAMAPTTP53RECQLHTR2C
SCHEMBL12676480 0.78 GAA (0.51) GAAMAPTTP53RECQLHTT
SCHEMBL12676295 0.78 GAA (0.41) GAAMAPTTP53RECQLALDH1A1
SCHEMBL12676274 0.76 MAPT (0.51) GAAMAPTTP53RECQLNPSR1
SCHEMBL12676268 0.76 MAPT (0.56) GAAMAPTTP53RECQLHTT
SCHEMBL12676483 0.75 MAPT (0.69) GAAMAPTTP53RECQLNPSR1
SCHEMBL11958369 0.75 GAA (0.44) GAAMAPTMAP1LC3BL3MBTL1
SCHEMBL6605801 0.73 MAPT (0.60) GAAMAPTTP53RECQLHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 259/4885TP53 4547/4885

“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