SCHEMBL18109934

SCHEMBL18109934

CCCCCCOc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.50
▸ FAAH O00519 6/20 0.46
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ S1PR1 P21453 2/20 0.45
▸ S1PR3 Q99500 2/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ S1PR5 Q9H228 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ PLA2G4B P0C869 1/20 0.44

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
SCHEMBL18109931 0.91 CA12 (0.42) PLK1TP53S1PR1S1PR3S1PR4
SCHEMBL21799295 0.81 CA12 (0.47) PLK1S1PR1S1PR3S1PR4S1PR5
SCHEMBL18109936 0.81 CA12 (0.50) PLK1S1PR1S1PR3S1PR4S1PR5
SCHEMBL15888157 0.81 MEN1 (0.47) FAAHTSHRCNR2
Iodide SCHEMBL16742380 0.79 CHRNA7 (0.46) CNR2
SCHEMBL29022674 0.79 FAAH (0.66) FAAH
SCHEMBL6758311 0.79 FAAH (0.66) FAAH
SCHEMBL28155109 0.76 CNR2 (0.43) PLK1CNR2
SCHEMBL16756051 0.76 MAPT (0.53) PLK1TP53TSHR
SCHEMBL18109928 0.75 CHRNA7 (0.40) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071582-B1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS RES & INNOVATION UK (GB) 2020-04-29 — — EP disclosed
EP-3623375-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS United Kingdom Research and Innovation (GB) 2020-03-18 — — EP disclosed
US-9963474-B2 Mitochondria-targeted dicarbonyl sequestering compounds MEDICAL RESEARCH COUNCIL (GB) 2018-05-08 — — US disclosed
US-20160289252-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2016-10-06 — — 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-20160289252-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS NDUFAB1, HADHB, SLC25A21 PLK1 3990/4885FAAH 3758/4885TP53 1925/4885

“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