SCHEMBL978300

SCHEMBL978300

Nc1c(Cl)cc(C(F)(F)F)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ GABRA2 P47869 7/20 0.41
▸ GABRB2 P47870 7/20 0.41
▸ GABRP O00591 6/20 0.41
▸ GABRD O14764 6/20 0.41
▸ GABRA1 P14867 6/20 0.41
▸ GABRB1 P18505 6/20 0.41
▸ GABRG2 P18507 6/20 0.41
▸ GABRB3 P28472 6/20 0.41
▸ GABRA5 P31644 6/20 0.41
▸ GABRA3 P34903 6/20 0.41
▸ GABRA4 P48169 6/20 0.41
▸ GABRE P78334 6/20 0.41
▸ GABRA6 Q16445 6/20 0.41
▸ GABRG1 Q8N1C3 6/20 0.41
▸ GABRG3 Q99928 6/20 0.41
▸ GABRQ Q9UN88 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.39

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
SCHEMBL30777281 1.00 CA1 (0.44) CA1CA2CA9GABRA2GABRB2
SCHEMBL15512406 0.88 CA1 (0.37) CA1CA2CA9GABRA2GABRB2
SCHEMBL30439201 0.84 ALDH1A1 (0.50) CA1CA2CA9GABRA2GABRB2
SCHEMBL967220 0.84 ALDH1A1 (0.50) CA1CA2CA9GABRA2GABRB2
SCHEMBL2159314 0.84 ALDH1A1 (0.39) CA1CA2CA9GABRA2GABRB2
Hydrochloric Acid SCHEMBL29123267 0.82 ALDH1A1 (0.48) CA1CA2CA9GABRA2GABRB2
Nitrogen SCHEMBL28714282 0.80 ALDH1A1 (0.46) CA1CA2CA9GABRA2GABRB2
SCHEMBL29746198 0.78 ALDH1A1 (0.48) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL904486 0.78 ALDH1A1 (0.48) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL22366856 0.77 GABRB3 (0.44) GABRA2GABRB2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 — — US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 — — US disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 — — EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 — — US disclosed
US-10160731-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-12-25 — — US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 — — US disclosed
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-08-09 — — US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 — — EP disclosed
US-9938248-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-04-10 — — US disclosed
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-03-01 — — US disclosed
EP-2260016-B1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES DU PONT (US) 2015-09-02 — — EP disclosed
US-20150210654-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES DU PONT (US) 2015-07-30 — — US disclosed
US-9035101-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-05-19 — — US disclosed
US-20140155617-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-06-05 — — US disclosed
EP-2706050-A1 1-Chloro-3-iodo-5-(trifluoromethyl)benzene E. I. du Pont de Nemours and Company (US) 2014-03-12 — — EP disclosed
EP-2706053-A1 Method for preparing 2-trifluoromethyl ketones E. I. du Pont de Nemours and Company (US) 2014-03-12 — — EP disclosed
US-8546618-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-01 — — US disclosed
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-01-13 — — US disclosed
EP-2260016-A2 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E. I. du Pont de Nemours and Company (US) 2010-12-15 — — EP disclosed
WO-2009126668-A2 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-15 — — WO 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 (10 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-20140155617-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, RAE1, SULT1E1 CA1 564/4885CA2 450/4885CA9 1300/4885
US-10160731-B2 Method for preparing 3-trifluoromethyl chalcones NR3C2, CYP4A11, RAE1 CA1 864/4885CA2 745/4885CA9 1454/4885
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CA1 864/4885CA2 745/4885CA9 1454/4885
US-20150210654-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CA1 864/4885CA2 745/4885CA9 1454/4885
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CA1 864/4885CA2 745/4885CA9 1454/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 CA1 4477/4885CA2 2386/4885CA9 3995/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CA1 864/4885CA2 745/4885CA9 1454/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 CA1 4477/4885CA2 2386/4885CA9 3995/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 CA1 4477/4885CA2 2386/4885CA9 3995/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 CA1 4477/4885CA2 2386/4885CA9 3995/4885

“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.

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