SCHEMBL405869

SCHEMBL405869

CC(=O)C(C)(O)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KIF11 P52732 1/20 0.40
ACSS2 Q9NR19 3/20 0.39
RIPK1 Q13546 3/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL6400375 0.87 KCNN4 (0.49) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL8591922 0.87 KCNN4 (0.49) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL8636719 0.85 KCNN4 (0.44) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL8780648 0.82 HDAC6 (0.43) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL29727285 0.79 KCNN4 (0.43) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL14398864 0.79 KCNN4 (0.43) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL1507033 0.79 KCNN4 (0.43) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL22796312 0.79 CES2 (0.42) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL8636724 0.79 KCNN4 (0.41) KCNN4CES2CES1HDAC3HDAC1
SCHEMBL8637482 0.79 HDAC6 (0.40) KCNN4CES2CES1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032228-A1 ELECTRO-OPTIC POLYMER NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2021-02-04 US disclosed
US-20120329865-A1 MOLECULES RELATED hERG ION CHANNELS AND THE USE THEREOF CORNING INCORPORATED 2012-12-27 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 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 (3 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 KCNN4 323/4885CES2 2092/4885CES1 1181/4885
US-20120329865-A1 MOLECULES RELATED hERG ION CHANNELS AND THE USE THEREOF KCNH2, KCNJ2, KCNH3 KCNN4 41/4885CES2 727/4885CES1 554/4885
US-20210032228-A1 ELECTRO-OPTIC POLYMER TECR, AQP3, LAGE3 KCNN4 111/4885CES2 4031/4885CES1 4599/4885

“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.