SCHEMBL1447792

SCHEMBL1447792

FC(F)(F)c1ccc2[c]cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYBB P04839 1/20 0.34
NOX3 Q9HBY0 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KIF11 P52732 3/20 0.33
PTPN1 P18031 2/20 0.33
PKM P14618 1/20 0.33
PTPN5 P54829 1/20 0.33
GPR3 P46089 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 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
SCHEMBL18241955 0.85 PTPN1 (0.32) PTPN1
SCHEMBL2541502 0.85 BACE1 (0.37) BACE1TSHRMAPK1ALDH1A1KIF11
SCHEMBL18242443 0.82 PTPN1 (0.30) PTPN1
SCHEMBL18242507 0.81
SCHEMBL18243571 0.81 TSHR (0.38) TSHR
SCHEMBL18242748 0.78
SCHEMBL7164162 0.76 BACE1 (0.39) BACE1TSHRMAPK1ALDH1A1MEN1
SCHEMBL18378445 0.75
SCHEMBL457843 0.74 TSHR (0.39) BACE1TSHRMAPK1ALDH1A1MEN1
SCHEMBL18243707 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750469-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 US claimed
EP-4201923-A1 5-SUBSTITUTED 2,3-DIHYDROPYRIDIN-4-ONES AND PROCESS FOR PREPARING THE SAME Karl-Franzens-Universität Graz (AT) 2023-06-28 EP disclosed
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
CN-110301005-B Lubricant for magnetic recording medium and method for producing magnetic recording medium 昭和电工株式会社 2021-01-26 CN disclosed
EP-3666757-A1 PROCESS FOR PREPARING A PIPERIDIN-4-ONE Karl-Franzens-Universität Graz (AT) 2020-06-17 EP disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
CN-1121711-A 3-(hetero)aryl carboxylic acid derivatives, methods of preparing them and intermediates used in their preparation BASF AG (DE) 1996-05-01 CN disclosed
CN-1121712-A 3- (hetero) aryloxy (thio) carboxylic acid derivatives, process and intermediates for their preparation BASF AG (DE) 1996-05-01 CN disclosed
EP-0695295-A1 3-(HETERO)ARYL CARBOXYLIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 EP disclosed
EP-0695296-A1 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 EP disclosed
EP-0383635-B1 Peptides having renin inhibitory activity their preparation and use SANKYO CO (JP) 1995-07-12 EP disclosed
WO-1995007266-A1 SUBSTITUTED LACTIC-ACID DERIVATIVES WITH AN ORGANIC N-GROUP IN THE BETA POSITION, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND ANTIDOTES BASF AKTIENGESELLSCHAFT (DE) 1995-03-16 WO disclosed
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
WO-1994025443-A1 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed
WO-1994025442-A1 3-(HETERO)ARYL CARBOXYLIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed
EP-0383635-A2 Peptides having renin inhibitory activity their preparation and use Sankyo Company Limited (JP) 1990-08-22 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 (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-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 BACE1 3869/4885TSHR 2151/4885MAPK1 2411/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 BACE1 4703/4885TSHR 648/4885MAPK1 1089/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 BACE1 4703/4885TSHR 648/4885MAPK1 1089/4885

“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.