SCHEMBL1044964

SCHEMBL1044964

OCCCCCCc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
TAAR1 Q96RJ0 3/20 0.48
HTR2A P28223 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HMOX1 P09601 1/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SHBG P04278 1/20 0.42

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
SCHEMBL1046537 1.00 CA2 (0.53) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL15352178 1.00 CA2 (0.53) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL5310822 1.00 CA2 (0.53) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL16467630 1.00 CA2 (0.53) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL2382177 1.00 CA2 (0.53) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL16414852 1.00 CA2 (0.53) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL16414630 1.00 CA2 (0.53) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL1624419 0.98 CA2 (0.52) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL5515 0.91 TAAR1 (0.52) CA2TAAR1HTR2ACYP4F2CYP4A11
SCHEMBL23837668 0.88 CA2 (0.63) CA2HTR2ACYP4F2CYP4A11ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
EP-1716113-A1 EP2- RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2006-11-02 EP disclosed
WO-2006112537-A1 METHOD OF MANUFACTURING SEMICONDUCTOR ELEMENT, SEMICONDUCTOR ELEMENT, ELECTRONIC DEVICE, AND ELECTRONIC EQUIPMENT SEIKO EPSON CORPORATION (JP) 2006-10-26 WO disclosed
WO-2006112514-A1 POROUS SEMICONDUCTOR LAYER FORMATION MATERIAL SEIKO EPSON CORPORATION (JP) 2006-10-26 WO disclosed
WO-2006064892-A1 CONDUCTIVE MATERIAL, COMPOSITION FOR THE CONDUCTIVE MATERIAL, CONDUCTIVE LAYER, ELECTRONIC DEVICE, AND ELECTRONIC EQUIPMENT SEIKO EPSON CORPORATION (JP) 2006-06-22 WO disclosed
WO-2006043681-A1 COMPOSITION FOR CONDUCTIVE MATERIALS, CONDUCTIVE MATERIAL, CONDUCTIVE LAYER, ELECTRONIC DEVICE, AND ELECTRONIC EQUIPMENT SEIKO EPSON CORPORATION (JP) 2006-04-27 WO disclosed
WO-2006025612-A1 MATERIAL COMPOSITION FOR CONDUCTIVE LAYERS IN ELECTRONIC DEVICES SEIKO EPSON CORPORATION (JP) 2006-03-09 WO disclosed
WO-2006022439-A1 COMPOSITION FOR CONDUCTIVE MATERIALS COMPRISING TETRA ACRYLATE FUNCTIONALISED ARYLAMINES, CONDUCTIVE MATERIAL AND LAYER, ELECTRONIC DEVICE EQUIPMENT SEIKO EPSON CORPORATION (JP) 2006-03-02 WO disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
WO-2005061449-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-07-07 WO 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA2 3091/4885TAAR1 1385/4885HTR2A 4856/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CA2 1497/4885TAAR1 87/4885HTR2A 3483/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 CA2 1106/4885TAAR1 66/4885HTR2A 3482/4885

“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.