Sugi Predict

Sugi Predict / Compounds / SCHEMBL1042998

SCHEMBL1042998

SCHEMBL1042998

FC(F)(F)c1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ ACP1 P24666 2/20 0.38
▸ CACNA1H O95180 4/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ TMPRSS4 Q9NRS4 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL5667400 0.87 CES2 (0.36) CES2NOTUMACP1CACNA1HCACNA1B
SCHEMBL10242061 0.85 NOTUM (0.38) CES2NOTUMACP1CACNA1HCACNA1B
SCHEMBL7882829 0.84 CES2 (0.34) CES2NOTUMACP1CACNA1HCACNA1B
SCHEMBL31405106 0.84 CES2 (0.38) CES2NOTUMACP1ALDH1A1TMPRSS4
SCHEMBL330815 0.84 ALDH1A1 (0.43) CES2NOTUMCACNA1HALDH1A1IDO1
SCHEMBL6705993 0.80 KDM1A (0.39) NOTUMACP1TMPRSS4TSHRCA1
SCHEMBL1041996 0.79 GABBR2 (0.36) CES2NOTUMACP1ALDH1A1MAPT
SCHEMBL7880515 0.79 ALDH1A1 (0.38) CES2NOTUMCACNA1HCACNA1BCACNA1C
SCHEMBL23458482 0.79 AR (0.46) —
SCHEMBL671162 0.79 CES2 (0.35) CES2NOTUMACP1MAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8418530-B1 Compositions and methods for detecting leaks in HVAC/R systems MAINSTREAM ENGINEERING CORPORATION (US) 2013-04-16 — — US claimed
US-7960331-B2 Replacement solvents having improved properties and methods of using the same GRZYLL LAWRENCE R 2011-06-14 — — US claimed
US-7429557-B2 Replacement solvents having improved properties and methods of using the same MAINSTREAM ENGINEERING CORPORATION (US) 2008-09-30 — — US claimed
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 — — US claimed
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 — — EP disclosed
EP-3433288-A1 POLYMERIZATION OF MICHAEL-TYPE MONOMERS Technische Universität München (DE) 2019-01-30 — — EP disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 — — US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 — — EP disclosed
WO-2017162334-A1 POLYMERIZATION OF MICHAEL-TYPE MONOMERS Technische Universität München (DE) 2017-09-28 — — WO disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 — — WO disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 — — US disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 — — US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 — — US disclosed
US-7429557-B2 Replacement solvents having improved properties and methods of using the same MAINSTREAM ENGINEERING CORPORATION (US) 2008-09-30 — — US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 — — US disclosed
US-20060166851-A1 Replacement solvents having improved properties and methods of using the same MAINSTREAM ENGINEERING CORP. 2006-07-27 — — US disclosed
EP-1683802-A1 TRANSITION METAL COMPLEX LIGAND AND OLEFIN POLYMERIZATION CATALYST CONTAINING TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2006-07-26 — — EP disclosed
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 — — US disclosed
US-6268527-B1 REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE CENTRAL GLASS COMPANY, LIMITED (JP) 2001-07-31 — — US disclosed
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 — — 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 (3 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 CES2 52/4885NOTUM 3158/4885ACP1 3313/4885
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CES2 4628/4885NOTUM 4325/4885ACP1 3425/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 CES2 52/4885NOTUM 3158/4885ACP1 3313/4885

“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.