SCHEMBL3710992

SCHEMBL3710992

Fc1ccc(CBr)cc1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.44
LPAR1 Q92633 3/20 0.41
LPAR5 Q9H1C0 3/20 0.41
LTA4H P09960 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
NR3C1 P04150 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL9681679 0.87 TDP1 (0.42) TTRHTR2ASLC6A4HRH1
SCHEMBL8695511 0.86 SLC6A4 (0.40) LPAR1LPAR5LTA4HHTR2ASLC6A4
SCHEMBL8405400 0.86 TTR (0.47) TTRLPAR1LPAR5LTA4HHTR2A
SCHEMBL10835646 0.85 SLC6A4 (0.40) LPAR1LPAR5HTR2ASLC6A4NR3C1
SCHEMBL10877632 0.84 MAOB (0.48) HTR2ASLC6A4
SCHEMBL10877600 0.84 SLC6A4 (0.47) TSHRHTR2ASLC6A4
SCHEMBL8567112 0.84 TTR (0.40) TTRLPAR1LPAR5HRH1
SCHEMBL10876463 0.83 SLC6A4 (0.40) LPAR1LPAR5ALDH1A1HTR2ASLC6A4
SCHEMBL10743171 0.83 TTR (0.44) TTRLPAR1LPAR5LTA4HHTR2A
SCHEMBL10547891 0.83 TTR (0.44) TTRLPAR1LPAR5LTA4HHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187836-A4 OXIME INSECTICIDES. COMMW SCIENT IND RES ORG (AU) 1987-12-09 EP claimed
EP-0187836-A1 OXIME INSECTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1986-07-23 EP claimed
WO-1986000894-A1 OXIME INSECTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 1986-02-13 WO claimed
EP-0024612-B1 NEW 4-FLUORO-3-PHENOXY-BENZYL-ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1983-10-05 EP claimed
EP-0024612-A2 New 4-fluoro-3-phenoxy-benzyl-ethers, process for their preparation and their use BAYER AG (DE) 1981-03-11 EP claimed
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
WO-2010086876-A2 ETHER SYNTHESIS ADITYA BIRLA SCIENCE & TECHNOLOGY CO. LTD. (IN) 2010-08-05 WO disclosed
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 US disclosed
EP-1278720-B1 1,4-DIARYL-2-FLUORO-4-CYANO-2-BUTENES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES USEFUL THEREFOR BASF AG (DE) 2005-04-06 EP disclosed
CN-1523958-A Pesticide compositions comprising malononitrile compounds ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN disclosed
US-6770463-B2 INSECTICIDES AND ACARICIDES; AROMATIC SUBSTITUTED HALOALKENES BASF AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
EP-0024611-A1 Process for preparing substituted benzaldehydes BAYER AG (DE) 1981-03-11 EP disclosed
EP-0024612-A2 New 4-fluoro-3-phenoxy-benzyl-ethers, process for their preparation and their use BAYER AG (DE) 1981-03-11 EP disclosed
EP-0024019-A1 Process for the production of 4-fluoro-3-phenoxy-toluene BAYER AG (DE) 1981-02-18 EP disclosed
US-4231953-A Fluoro substituted aryl esters and thiolesters of amino acids ZOECON CORPORATION (US) 1980-11-04 US disclosed
US-4229368-A Esters and thiolesters of unsaturated acids ZOECON CORPORATION (US) 1980-10-21 US disclosed
US-4225533-A Fluorobenzyl esters of cyclopropanecarboxylic acids ZOECON CORPORATION (US) 1980-09-30 US disclosed
EP-0008734-A1 Process for the preparation of 4-fluor-3-phenoxytoluene BAYER AG (DE) 1980-03-19 EP disclosed
EP-0008732-A2 Fluorine-containing esters of phenylacetic acids, process for their preparation and their use as insecticides and acaricides; intermediate products for their preparation BAYER AG (DE) 1980-03-19 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 (2 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 TTR 4150/4885LPAR1 1365/4885LPAR5 604/4885
US-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 TTR 2706/4885LPAR1 1771/4885LPAR5 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.