Sugi Predict

Sugi Predict / Compounds / SCHEMBL1053231

SCHEMBL1053231

SCHEMBL1053231

FC(F)(F)[Si](c1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NR1H2 P55055 3/20 0.39
▸ NR1H3 Q13133 3/20 0.39
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ KIF11 P52732 1/20 0.35
▸ CES1 P23141 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL1049841 0.77 ALDH1A1 (0.41) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL1051334 0.77 ALDH1A1 (0.41) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL29054459 0.72 NR1H2 (0.45) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL104796 0.72 NR1H2 (0.45) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL21438997 0.72 TSHR (0.38) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL23701150 0.72 TSHR (0.38) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL23701389 0.72 ALDH1A1 (0.38) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL3888384 0.71 ESR1 (0.37) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL705989 0.69 ESR1 (0.40) ALDH1A1TSHRNR1H2NR1H3ESR1
SCHEMBL703156 0.69 ESR1 (0.40) ALDH1A1TSHRNR1H2NR1H3ESR1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141538-B1 IMPROVED PROCESS STABILITY OF NBDE USING SUBSTITUTED PHENOL STABILIZERS VERSUM MAT US LLC (US) 2019-10-30 — — EP disclosed
EP-2318477-B1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MAT USA INC (US) 2019-06-05 — — EP disclosed
EP-2712367-B1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIV SOUTHERN CALIFORNIA (US) 2018-09-26 — — EP disclosed
EP-3141538-A1 IMPROVED PROCESS STABILITY OF NBDE USING SUBSTITUTED PHENOL STABILIZERS AIR PRODUCTS AND CHEMICALS, INC. (US) 2017-03-15 — — EP disclosed
EP-2141141-B1 Improved Process Stability of NBDE Using Substituted Phenol Stabilizers AIR PROD & CHEM (US) 2016-09-28 — — EP disclosed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 — — US disclosed
EP-1931613-B1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS (US) 2015-11-11 — — EP disclosed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 — — US disclosed
EP-1931746-B1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS (US) 2013-09-04 — — EP disclosed
WO-2012148772-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-11-01 — — WO disclosed
EP-2141141-A1 Improved Process Stability of NBDE Using Substituted Phenol Stabilizers Air Products and Chemicals, Inc. (US) 2010-01-06 — — EP disclosed
US-20090297711-A1 Process Stability of NBDE Using Substituted Phenol Stabilizers AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-12-03 — — US disclosed
US-20090291210-A1 Additives to Prevent Degradation of Cyclic Alkene Derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2009-11-26 — — US disclosed
EP-1931613-A2 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FujiFilm Electronic Materials USA, Inc. (US) 2008-06-18 — — EP disclosed
EP-1931746-A2 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FujiFilm Electronic Materials USA, Inc. (US) 2008-06-18 — — EP disclosed
WO-2008063134-A1 METHOD OF PRODUCING A PATTERN OF DISCRIMINATIVE WETTABILITY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-05-29 — — WO disclosed
WO-2007033075-A2 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2007-03-22 — — WO disclosed
WO-2007033123-A2 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2007-03-22 — — WO disclosed
US-20070057235-A1 Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2007-03-15 — — US disclosed
US-20070057234-A1 Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2007-03-15 — — 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 (2 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-20090297711-A1 Process Stability of NBDE Using Substituted Phenol Stabilizers CCNE2, CCNE1, C1R ALDH1A1 3235/4885TSHR 3341/4885NR1H2 198/4885
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE TST, FLI1, CYP2F1 ALDH1A1 1358/4885TSHR 2475/4885NR1H2 3490/4885

“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.