SCHEMBL7107436

SCHEMBL7107436

CC(C)(C=O)CCC(=O)Cc1ccc(CCCC(=O)C(C)(C)C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
FAAH O00519 4/20 0.38
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
ESRRG P62508 2/20 0.35
LMNA P02545 1/20 0.35
ESRRB O95718 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
CES1 P23141 3/20 0.33
SLC13A5 Q86YT5 2/20 0.33
HDAC3 O15379 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 1/20 0.33
HDAC4 P56524 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3286475 0.85 TDP1 (0.42) TDP1L3MBTL1NR1H4ALDH1A1HSD17B10
SCHEMBL8742181 0.75 VNN1 (0.36) TDP1L3MBTL1NR1H4ALDH1A1LMNA
SCHEMBL2421674 0.73 KCNH2 (0.40) ALDH1A1HSD17B10HPGDESRRGLMNA
SCHEMBL24860061 0.69 NR1H4 (0.55) NR1H4FAAHESRRGLMNAESRRB
SCHEMBL11401981 0.69 NR1H4 (0.57) NR1H4HSD17B10ESRRGLMNAESRRB
SCHEMBL3281085 0.68 L3MBTL1 (0.44) TDP1L3MBTL1NR1H4ALDH1A1HPGD
SCHEMBL26864193 0.66 MAOB (0.46) TDP1ALDH1A1ESRRGKCNH2
SCHEMBL3284037 0.66 FNTA (0.32)
SCHEMBL19971105 0.65 SIGMAR1 (0.45) L3MBTL1HDAC1HDAC8HDAC3MAPK1
SCHEMBL3283849 0.65 TDP1 (0.46) TDP1L3MBTL1NR1H4SLC13A5ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-04-24 US claimed

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-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 TDP1 1892/4885L3MBTL1 3242/4885NR1H4 65/4885

“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.