SCHEMBL73876

SCHEMBL73876

FC(F)(F)c1ccc(C=CCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.53
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.48
FBP1 P09467 1/20 0.47
NQO2 P16083 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HDAC3 O15379 1/20 0.46
ADAM17 P78536 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44

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
SCHEMBL73875 1.00 AHR (0.53) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL11443780 0.85 CYP1A2 (0.55) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL22931544 0.79 AHR (0.68) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL13790263 0.79 AHR (0.68) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL13790273 0.79 AHR (0.68) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL256696 0.79 CYP1A2 (0.50) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL80465 0.79 CYP1A2 (0.55) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL1689696 0.79 CYP1A2 (0.50) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL1044870 0.79 CYP1A2 (0.50) AHRCYP1A2PTGS1FBP1NQO2
SCHEMBL1044871 0.79 CYP1A2 (0.50) AHRCYP1A2PTGS1FBP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 US disclosed
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
CN-103214460-A Chemical compounds SYNGENTA PARTICIPATIONS AG 2013-07-24 CN disclosed
EP-1763302-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-06 EP disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-06 US disclosed
US-5874585-A TREATMENT AND/OR PREVENTION OF ELASTASE-MEDIATED PROBLEMS SUCH AS ARTHRITIS, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, DERMATITIS, PSORIASIS, CYSTIC FIBROSIS, CHRONIC BRONCHITIS, ALZHEIMER'S DISEASE CORTECH, INC. (US) 1999-02-23 US disclosed
CN-1194978-A Benzyloxy-substituted, fused N heterocycles, process for their preparation and their use as bradykinin receptor antagonists HOECHST AG (DE) 1998-10-07 CN disclosed
EP-0793674-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1997-09-10 EP disclosed
US-5618792-A USEFUL FOR TREATING ACUTE RESPIRATORY DISEASES, AND MYOCARDIAL ISHCEMIA-REPERFUSION INJURY CORTECH, INC. (US) 1997-04-08 US disclosed
WO-1996016080-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1996-05-30 WO disclosed
CN-1029962-C Triazole derivatives, their preparation and their use as fungicides SANKYO CO (JP) 1995-10-11 CN disclosed
CN-1058207-A New piperidine compounds and preparation method thereof NOVO NORDISK AS (DK) 1992-01-29 CN disclosed
CN-1036759-A Triazole derivative, its preparation method and its purposes as mycocide SANKYO CO (JP) 1989-11-01 CN disclosed
US-4874861-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-17 US disclosed
EP-0183212-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-06-04 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-20120270885-A1 CHEMICAL COMPOUNDS H1-0, CHRM1, MRM1 AHR 404/4885CYP1A2 593/4885PTGS1 1857/4885
US-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS CHRM1, CHRM5, PRMT5 AHR 46/4885CYP1A2 432/4885PTGS1 1202/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 AHR 529/4885CYP1A2 383/4885PTGS1 1876/4885

“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.