SCHEMBL816347

SCHEMBL816347

Cc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.44
FFAR4 Q5NUL3 3/20 0.43
GRIN2B Q13224 2/20 0.40
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN10A Q9Y5Y9 3/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL879205 0.95 GPR3 (0.44) GPR3FFAR4GRIN2BALDH1A1CYP3A4
SCHEMBL12994806 0.91 ALDH1A1 (0.48) GPR3FFAR4GRIN2BALDH1A1CYP3A4
SCHEMBL10207749 0.86 GPR3 (0.40) GPR3FFAR4GRIN2BALDH1A1CYP3A4
SCHEMBL16959259 0.85 L3MBTL1 (0.44) GPR3FFAR4GRIN2BALDH1A1MAPK1
SCHEMBL16483004 0.85 FFAR4 (0.40) GPR3FFAR4GRIN2BSCN10A
SCHEMBL12885911 0.84 GPR3 (0.39) GPR3FFAR4GRIN2BALDH1A1MAPK1
SCHEMBL13841332 0.84 NOTUM (0.42) GPR3FFAR4GRIN2BSCN10A
SCHEMBL20962938 0.84 ALDH1A1 (0.48) GPR3FFAR4GRIN2BALDH1A1SCN10A
SCHEMBL10978352 0.84 ALDH1A1 (0.50) GPR3FFAR4GRIN2BALDH1A1CYP3A4
SCHEMBL10207747 0.84 GPR3 (0.39) GPR3FFAR4GRIN2BALDH1A1CYP3A4

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
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
US-20200259085-A1 TREATMENT LIQUID CONTAINING IONIC COMPOUND, ORGANIC ELECTRONIC ELEMENT, AND METHOD FOR PRODUCING ORGANIC ELECTRONIC ELEMENT HITACHI CHEMICAL COMPANY, LTD. 2020-08-13 US disclosed
US-20200235304-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-07-23 US disclosed
US-10665786-B2 Treatment liquid containing ionic compound, organic electronic element, and method for producing organic electronic element HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-05-26 US disclosed
US-20200143954-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-05-07 US disclosed
US-20200044154-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION, ORGANIC ELECTRONIC ELEMENT, AND ORGANIC ELECTRONIC ELEMENT PRODUCTION METHOD HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-02-06 US disclosed
US-20190229268-A1 CHARGE TRANSPORT MATERIAL, INK COMPOSITION AND ORGANIC ELECTRONIC ELEMENT HITACHI CHEMICAL COMPANY, LTD. (JP) 2019-07-25 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
WO-2019078620-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed
US-20140335375-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT RESONAC CORPORATION (JP) 2014-11-13 US disclosed
US-20140332791-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT RESONAC CORPORATION (JP) 2014-11-13 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US disclosed
US-8344180-B2 Hydrazine amide derivative SHIONOGI & CO., LTD. (JP) 2013-01-01 US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20100004295-A1 Hydrazine amide derivative SHIONOGI & CO., LTD. 2010-01-07 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP 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 (8 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 GPR3 3966/4885FFAR4 4817/4885GRIN2B 204/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 GPR3 4628/4885FFAR4 4445/4885GRIN2B 483/4885
US-20100004295-A1 Hydrazine amide derivative NPY5R, NPY1R, NPY2R GPR3 119/4885FFAR4 192/4885GRIN2B 949/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 GPR3 84/4885FFAR4 25/4885GRIN2B 3070/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 GPR3 2866/4885FFAR4 2899/4885GRIN2B 572/4885
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 GPR3 2488/4885FFAR4 3370/4885GRIN2B 1809/4885
US-20200235304-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME C1S, CBR3, CCNL2 GPR3 810/4885FFAR4 3024/4885GRIN2B 2928/4885
US-20200044154-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION, ORGANIC ELECTRONIC ELEMENT, AND ORGANIC ELECTRONIC ELEMENT PRODUCTION METHOD ARF1, SLC43A1, RIF1 GPR3 4193/4885FFAR4 4014/4885GRIN2B 2941/4885

“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.