SCHEMBL19863241

SCHEMBL19863241

CC(C(=O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.44
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CES2 O00748 1/20 0.41
MLYCD O95822 1/20 0.40
PTPN1 P18031 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
MDM2 Q00987 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
SCHEMBL19863258 0.91 CES1 (0.45) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL2201172 0.82 CES1 (0.48) CES1PGRADRA2AADRA2BHTR2A
Hydrochloric Acid SCHEMBL5819903 0.81 CES1 (0.47) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL28672909 0.81 CES1 (0.44) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL15658023 0.76 PGR (0.48) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL13039632 0.75 LMNA (0.56) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL27988949 0.75 PGR (0.47) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL27325598 0.75 PGR (0.47) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL15834920 0.73 LMNA (0.55) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL8511154 0.73 THRB (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 US disclosed
US-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 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-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS PFAS, PLG, PPARG CES1 384/4885PGR 403/4885ADRA2A 2733/4885

“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.