SCHEMBL19863250

SCHEMBL19863250

Cc1cc(C)c(C(=O)C(C)C(F)(F)F)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL10019207 0.77 FFAR1 (0.50) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL19863246 0.77 NFE2L2 (0.40) TAS1R3TAS1R1TAS1R2LMNASMN1; SMN2
SCHEMBL8839023 0.74 HPGD (0.43) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL5997084 0.74 HPGD (0.43) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL7244784 0.71 LMNA (0.41) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL9121747 0.71 HPGD (0.41) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL19863238 0.71 CA2 (0.48) HPGDNPSR1LMNASMN1; SMN2HTT
SCHEMBL27976891 0.71 HPGD (0.41) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL8224635 0.71 KMT2A (0.44) HPGDNPSR1MCOLN3LMNASMN1; SMN2
SCHEMBL28279330 0.71 HPGD (0.41) HPGDNPSR1MCOLN3TAS1R3TAS1R1

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 HPGD 1822/4885NPSR1 2847/4885MCOLN3 4771/4885

“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.