SCHEMBL17540656

SCHEMBL17540656

CCOC(=O)[C@H](Cc1ccc(OCC(=O)c2cccc(C)c2)cc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.47
PPARG P37231 15/20 0.47
PPARD Q03181 15/20 0.47
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17540651 1.00 PPARA (0.47) PPARAPPARGPPARDGAASMN1; SMN2
SCHEMBL17540666 1.00 PPARA (0.47) PPARAPPARGPPARDGAASMN1; SMN2
SCHEMBL17792278 0.91 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL17792273 0.91 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL17540676 0.91 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL17540655 0.91 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL17540662 0.91 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL17540650 0.91 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL14479947 0.89 NPC1 (0.57) PPARAPPARGPPARDSMN1; SMN2TDP1
SCHEMBL14479989 0.89 NPC1 (0.57) PPARAPPARGPPARDSMN1; SMN2TDP1

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-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES CIRIUS THERAPEUTICS, INC. 2016-02-25 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-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA PPARA 3/4885PPARG 2/4885PPARD 1/4885

“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.