SCHEMBL719277

SCHEMBL719277

COc1c(F)[c]ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
MEP1B Q16820 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1491066 0.78 KDM4E (0.32) ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL2884958 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL159595 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL721990 0.77 MAOA (0.32) ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL8682848 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL1225214 0.77 NFE2L2 (0.36) ALDH1A1KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL831500 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL28081292 0.75 ALDH1A1 (0.32) ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL27906216 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL4085179 0.73 CYP3A4 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
EP-2797932-A1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL) BORONATES AND METHODS OF USING THE SAME Dow AgroSciences LLC (US) 2014-11-05 EP claimed
US-8609855-B2 Process for the preparation of 4-amino-5-fluoro-3-halo-6-(substituted)picolinates DOW AGROSCIENCES, LLC. (US) 2013-12-17 US claimed
WO-2013101987-A1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL) BORONATES AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2013-07-04 WO claimed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US claimed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP claimed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO claimed
CN-114213353-B Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2023-04-14 CN disclosed
US-20230083973-A1 SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-03-16 US disclosed
EP-3458442-B1 SYNTHESIS OF 6-ARYL-4-AMINOPICOLINATES AND 2-ARYL-6-AMINOPYRIMIDINE-4-CARBOXYLATES BY DIRECT SUZUKI COUPLING CORTEVA AGRISCIENCE LLC (US) 2022-12-28 EP disclosed
EP-4007578-A1 SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma, Inc. (US) 2022-06-08 EP disclosed
CN-114507175-A Novel inhibitors of hypnotic proteins alpha and beta 维沃里翁治疗股份有限公司 2022-05-17 CN disclosed
CN-114478506-A Pyridine oxazole compound and application thereof 东莞市东阳光农药研发有限公司 2022-05-13 CN disclosed
CN-101938905-A Chemical compounds SYNGENTA LTD 2011-01-05 CN disclosed
WO-2010149956-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-12-29 WO disclosed
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO disclosed
US-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 US disclosed
CN-101115723-A Pyrazole carboxylic acid anilides, method for the production thereof and agents containing them for controlling pathogenic fungi BASF AG (DE) 2008-01-30 CN 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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 ALDH1A1 4489/4885KDM4E 1801/4885HSD17B10 3976/4885
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP ALDH1A1 1043/4885KDM4E 2202/4885HSD17B10 2183/4885
US-20230083973-A1 SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS ALDH1A1 2781/4885KDM4E 508/4885HSD17B10 1405/4885

“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.