SCHEMBL19863238

SCHEMBL19863238

Cc1ccc(C(=O)C(C)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.44
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2B P18089 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
PKM P14618 2/20 0.42
HTT P42858 2/20 0.42
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL19866845 0.82 GSK3B (0.61) CES2CES1KMT2AMEN1HPGD
SCHEMBL2201172 0.82 CES1 (0.48) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL10228343 0.82 KMT2A (0.49) CA2ALDH1A1LMNACES2CES1
Hydrochloric Acid SCHEMBL5819903 0.80 CES1 (0.47) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL19866849 0.79 CES2 (0.52) CA2ALDH1A1LMNACES2CES1
SCHEMBL19863252 0.79 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL19863240 0.78 SLC6A2 (0.51) SMN1; SMN2KMT2AMEN1TDP1HTT
SCHEMBL19863246 0.78 NFE2L2 (0.40) ALDH1A1LMNASMN1; SMN2KMT2AHTT
SCHEMBL19775286 0.77 CA2 (0.46) CA2ALDH1A1LMNACES2CES1
SCHEMBL585256 0.76 ALDH1A1 (0.56) ALDH1A1LMNACES2CES1SMN1; SMN2

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 5 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-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-9951164-B2 Non-ionic aryl ketone based polymeric photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 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
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 CA2 2895/4885ALDH1A1 888/4885LMNA 381/4885

“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.