SCHEMBL4909322

SCHEMBL4909322

Brc1ccc(Oc2c[c]ccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
LTA4H P09960 5/20 0.37
TSHR P16473 2/20 0.37
MCL1 Q07820 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
CA2 P00918 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CES2 O00748 1/20 0.34

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
SCHEMBL28072263 0.85 LTA4H (0.55) LTA4HTSHRMAOAMAOBNR1H2
SCHEMBL8155454 0.85 LTA4H (0.43) MAPTLTA4HTSHRMAOAMAOB
SCHEMBL61732 0.83 LTA4H (0.57) LTA4HTSHRMAOAMAOBNR1H2
SCHEMBL2753690 0.82 LTA4H (0.31) LTA4HTSHRMAOB
SCHEMBL9450784 0.81 LTA4H (0.42) MAPTLTA4HTSHRMAOAMAOB
SCHEMBL5214192 0.81 MAOB (0.41) MAPTMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL6154322 0.80 LTA4H (0.59) LTA4HTSHRNR1H2BAXCA2
SCHEMBL511009 0.80 MAOA (0.47) MAPTLTA4HTSHRMAOAMAOB
SCHEMBL920289 0.80 TEAD4 (0.47) MAPTLTA4HTSHRNR1H2BAX
SCHEMBL157734 0.80 SOS1 (0.40) LTA4HTSHRMAOAMAOBNR1H2

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-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US claimed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP claimed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP claimed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
CN-1091425-A Heterocyclic neophenan analogs, process for their preparation and their use as pesticides HOECHST AG (DE) 1994-08-31 CN disclosed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0288810-B1 HETEROCYCLIC NEOPHANE ANALOGS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
US-5116826-A SILAZANEOPHYL SULFIDES, AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
EP-0288810-A1 Heterocyclic neophane analogs, processes for their preparation and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed
US-4775664-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-04 US disclosed
EP-0280383-A1 Process for intermediates for insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-31 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed
EP-0273549-A1 Insecticidal thioethers and derivatives thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-06 EP disclosed
EP-0249015-A1 Silane derivatives, process for their preparation, agents containing them, and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-16 EP disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed
EP-0041021-B1 CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, THEIR USE AGAINST PARASITES IN PLANTS AND ANIMALS, THEIR COMPOSITIONS AND THEIR INTERMEDIATES ROUSSEL-UCLAF (FR) 1984-07-25 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 (1 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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 MAPT 4853/4885LTA4H 561/4885TSHR 1884/4885

“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.