SCHEMBL20061753

SCHEMBL20061753

COCC(=O)OCC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.31
VDR P11473 1/20 0.31
ATM Q13315 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
SCHEMBL5496757 0.83
SCHEMBL10019280 0.80 MAPK1 (0.42) MAPK1SMN1; SMN2HTTALDH1A1VDR
SCHEMBL18651063 0.80 MAPK1 (0.42) MAPK1SMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL10051165 0.78 MAPK1 (0.41) MAPK1SMN1; SMN2HTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL23467006 0.77 MAPK1 (0.43) MAPK1SMN1; SMN2HTTALDH1A1VDR
SCHEMBL5579311 0.76 ALDH1A1 (0.46) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL12914639 0.76 DGAT1 (0.35) HTTPKMKDM4E
SCHEMBL25604269 0.75 HTT (0.39) HTTPKMKDM4E
SCHEMBL13141065 0.75 TSHR (0.38) HTTALDH1A1PKMKDM4E
SCHEMBL11340608 0.74 POLB (0.39)

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-20180104350-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-04-19 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-20180104350-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 MAPK1 754/4885SMN1; SMN2 3728/4885HTT 4818/4885

“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.