Ether

Ether

SCHEMBL2811983

CCOCC.Cc1cc(-c2ccc(C(=O)O)c(C)c2)ccc1C(=O)O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.57
RXRB P28702 3/20 0.57
RXRA P19793 3/20 0.55
MCL1 Q07820 4/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
RARA P10276 3/20 0.43
CFD P00746 1/20 0.42
RARG P13631 3/20 0.41
PTPN11 Q06124 1/20 0.41
HNF4A P41235 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40

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
SCHEMBL1498034 0.87 RXRB (0.70) RARBRXRBRXRAMCL1PDE4A
SCHEMBL29771992 0.87 RXRB (0.70) RARBRXRBRXRAMCL1PDE4A
Ether SCHEMBL1900760 0.85 CFD (0.49) RARBRXRBRXRAMCL1RARA
Hydrochloric Acid SCHEMBL4365452 0.85 RXRB (0.68) RARBRXRBRXRAMCL1PDE4A
Hydrochloric Acid SCHEMBL9150803 0.85 RXRB (0.68) RARBRXRBRXRAMCL1PDE4A
SCHEMBL17177748 0.83 RXRB (0.71) RARBRXRBRXRAMCL1PDE4A
Ether SCHEMBL21878444 0.81 PTPN11 (0.55) RARBRXRBRXRAMCL1PTPN11
SCHEMBL20556331 0.81 RARB (0.68) RARBRXRBRXRAMCL1PDE4A
SCHEMBL2811988 0.80 RXRB (0.63) RARBRXRBRXRAMCL1PDE4A
SCHEMBL8840571 0.79 MCL1 (0.65) RARBRXRBRXRAMCL1HNF4A

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
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP 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 (2 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B RARB 2349/4885RXRB 1440/4885RXRA 1635/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 RARB 4194/4885RXRB 3514/4885RXRA 3275/4885

“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.