SCHEMBL2104678

SCHEMBL2104678

CCCCCC([O])c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A4 P31645 1/20 0.42
CNR2 P34972 7/20 0.42
CNR1 P21554 5/20 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
SCHEMBL15352972 0.98 KDM4E (0.47) CYP2C9ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL15353192 0.98 KDM4E (0.47) CYP2C9ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL2105728 0.95 CYP2C9 (0.48) CYP2C9ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL2104687 0.88 CYP2C9 (0.52) CYP2C9ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL7690977 0.86 PPARG (0.40) CYP2C9ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL28088543 0.83 CYP2C9 (0.47) CYP2C9ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL6680895 0.83 ALDH1A1 (0.52) CYP2C9ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL28108218 0.83 SLC6A4 (0.51) CYP2C9ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL6684956 0.82 ALDH1A1 (0.50) CYP2C9ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL6679062 0.82 ALDH1A1 (0.50) CYP2C9ALDH1A1CYP1A2CYP2C19KDM4E

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 38 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-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-21 US disclosed
EP-3040332-A1 TETRAZOLINONE COMPOUND AND USE OF SAME Sumitomo Chemical Company, Limited (JP) 2016-07-06 EP disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES 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
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
CN-1039321-C New beta-amino-alpha-hydroxycarboxylic acids and their use SANKYO CO (JP) 1998-07-29 CN disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 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-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 CYP2C9 27/4885ALDH1A1 1594/4885CYP1A2 49/4885
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, UQCRB, RPS20 CYP2C9 78/4885ALDH1A1 2181/4885CYP1A2 228/4885

“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.