SCHEMBL980843

SCHEMBL980843

Nc1c(I)cc(Cl)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CFTR P13569 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
ADRB2 P07550 3/20 0.33
ADRB1 P08588 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.32
NOTUM Q6P988 1/20 0.31
PIK3CD O00329 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL14932778 0.86 CA1 (0.32) CA1CA2CA9TP53CYP3A4
SCHEMBL3240959 0.78 ADRB2 (0.44) GLAPOLBGAATSHRADRB2
SCHEMBL7520401 0.78 CYP3A4 (0.36) GLAPOLBGAATSHRCYP1A2
SCHEMBL23301654 0.77 ALDH1A1 (0.35) GLAPOLBGAATSHRCFTR
SCHEMBL10215752 0.77 ADRB2 (0.41) GLAPOLBGAATSHRADRB2
SCHEMBL11129317 0.77 CYP3A4 (0.45) GAATSHRCA1CA2CA9
SCHEMBL12069198 0.75 GLA (0.33) GLAPOLBGAATSHRCYP1A2
SCHEMBL18007552 0.75 ALDH1A1 (0.37) GLAPOLBGAATSHRCYP1A2
SCHEMBL17844704 0.75 KDM1A (0.36) GLAPOLBGAATSHRCFTR
SCHEMBL11138187 0.75 RAPGEF4 (0.38) GLAPOLBGAATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160731-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-12-25 US disclosed
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-08-09 US 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
US-9834523-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-05 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2017-07-13 US disclosed
US-9611231-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-04 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
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 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 (6 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-10160731-B2 Method for preparing 3-trifluoromethyl chalcones NR3C2, CYP4A11, RAE1 GLA 4108/4885POLB 4571/4885GAA 4374/4885
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 GLA 4108/4885POLB 4571/4885GAA 4374/4885
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES FABP1, FABP4, FABP5 GLA 3966/4885POLB 4129/4885GAA 3268/4885
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 GLA 4108/4885POLB 4571/4885GAA 4374/4885
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 GLA 4108/4885POLB 4571/4885GAA 4374/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 GLA 4108/4885POLB 4571/4885GAA 4374/4885

“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.