SCHEMBL13454166

SCHEMBL13454166

Cc1cc(OCC2CC(=O)CC(=O)C2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.39
F2 P00734 2/20 0.38
MAOA P21397 2/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 1/20 0.37
SOD1 P00441 1/20 0.36
TACR1 P25103 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
GRM2 Q14416 1/20 0.32
NOTUM Q6P988 1/20 0.32
KAT6A Q92794 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL12676299 0.90 SOD1 (0.43) RBP4SOD1TACR1KMT2AATM
SCHEMBL16729424 0.83 F2 (0.43) RBP4F2MAOALMNASLC6A2
SCHEMBL18625851 0.80 LMNA (0.38) F2MAOALMNASLC6A2KAT6A
SCHEMBL428288 0.79 BRAF (0.41) RBP4F2MAOALMNASLC6A2
SCHEMBL15945458 0.78 RBP4 (0.43) RBP4F2MAOALMNASLC6A2
SCHEMBL428011 0.77 TDP1 (0.48) RBP4F2SLC6A2TACR1MAOB
SCHEMBL13454207 0.75 FFAR4 (0.34) TACR1FFAR4NOTUM
SCHEMBL13454178 0.75 FFAR4 (0.34) TACR1FFAR4NOTUM
SCHEMBL13454199 0.75 FFAR4 (0.34) TACR1FFAR4NOTUM
SCHEMBL13180038 0.71 RXRA (0.48) LMNASOD1KMT2AATMMAOB

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 RBP4 4350/4885F2 4601/4885MAOA 799/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B RBP4 4350/4885F2 4601/4885MAOA 799/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B RBP4 4350/4885F2 4601/4885MAOA 799/4885

“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.