SCHEMBL19863239

SCHEMBL19863239

CC(C(=O)c1ccc2ccccc2c1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
GABBR2 O75899 4/20 0.47
GABBR1 Q9UBS5 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
EGFR P00533 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
JAK1 P23458 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL19863248 0.86 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDTP53
SCHEMBL19245660 0.85 KDM4E (0.54) KDM4EALDH1A1GAACES2CES1
SCHEMBL759389 0.80 CES2 (0.61) KDM4EALDH1A1GAACES2CES1
SCHEMBL2599186 0.79 CES2 (0.59) KDM4EALDH1A1GAACES2CES1
SCHEMBL15007511 0.79 CES2 (0.59) KDM4EALDH1A1GAACES2CES1
SCHEMBL2201172 0.78 CES1 (0.48) ALDH1A1CES2CES1SMN1; SMN2CYP3A4
SCHEMBL9843421 0.77 CES2 (0.57) KDM4EALDH1A1GAACES2CES1
SCHEMBL2951738 0.77 ALDH1A1 (0.62) KDM4EALDH1A1GAACES2CES1
SCHEMBL5130655 0.77 CES2 (0.57) KDM4EALDH1A1GAACES2CES1
SCHEMBL6008182 0.77 CES2 (0.57) KDM4EALDH1A1GAACES2CES1

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-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-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 KDM4E 156/4885ALDH1A1 888/4885GAA 1140/4885

“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.