SCHEMBL1121771

SCHEMBL1121771

CC(CCCO)C(=O)C(C)CCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
BLM P54132 1/20 0.38
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LTA4H P09960 1/20 0.34
GABRR1 P24046 2/20 0.33
CYP1A2 P05177 1/20 0.33
PTPN1 P18031 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL28772293 0.87 CA1 (0.61) CA1TSHRALDH1A1ACE2GPR84
SCHEMBL16863785 0.81
SCHEMBL12410220 0.81
SCHEMBL1859719 0.81
SCHEMBL311294 0.79
SCHEMBL7509595 0.79
SCHEMBL20953836 0.79 CYP1A2 (0.38) BLMLTA4HGABRR1CYP1A2PTPN1
SCHEMBL36633 0.78 CA1 (0.62) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL27460729 0.78 BLM (0.60) CA1BLMCYP3A4LTA4HCYP1A2
SCHEMBL6936918 0.78 BLM (0.54) CA1BLMLTA4HCYP1A2ALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220039385-A1 SOLID FORMULATION OF HERBICIDAL COMPOSITION AND PREPARING METHOD THEREOF JIANGSU YANGNONG CHEMICAL CO., LTD. (CN) 2022-02-10 US disclosed
EP-3895539-A1 SOLID PREPARATION FROM HERBICIDE COMPOSITION AND PREPARATION METHOD THEREFOR Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2021-10-20 EP disclosed
CN-111316993-B Solid preparation of herbicide composition and preparation method thereof 沈阳中化农药化工研发有限公司 2021-06-25 CN disclosed
CN-111316993-A Solid preparation of herbicide composition and preparation method thereof 沈阳中化农药化工研发有限公司 2020-06-23 CN disclosed
US-20190150439-A1 SOLUBLE LIQUID FORMULATIONS OF QUINCLORAC AMMONIUM SALTS BASF SE (DE) 2019-05-23 US disclosed
US-20150305336-A1 Soluble liquid formulations of quinclorac ammonium salts BASF SE (DE) 2015-10-29 US disclosed
CN-101778564-B Soluble liquid formulations of quinclorac ammonium salts BASF SE 2014-09-10 CN disclosed
US-8778840-B2 Soluble liquid formulations of quinclorac ammonium salts BASF SE (DE) 2014-07-15 US disclosed
US-8741324-B2 Liquid pesticide compositions BASF SE (DE) 2014-06-03 US disclosed
WO-2013149999-A1 SOLUBLE LIQUID FORMULATIONS OF QUINCLORAC AMMONIUM SALTS BASF SE (DE) 2013-10-10 WO disclosed
EP-1773121-B1 LIQUID PESTICIDE COMPOSITIONS BASF SE (DE) 2011-02-09 EP disclosed
US-20100255992-A1 Soluble Liquid Formulations of Quinclorac Ammonium Salts BASF SE (DE) 2010-10-07 US disclosed
CN-101778564-A soluble liquid formulations of quinclorac ammonium salts BASF SE 2010-07-14 CN disclosed
WO-2009013120-A2 SOLUBLE LIQUID FORMULATIONS OF QUINCLORAC AMMONIUM SALTS BASF SE (DE) 2009-01-29 WO disclosed
US-20070184983-A1 Liquid pesticide compositions BASF SE (DE) 2007-08-09 US disclosed
CN-1980572-A Liquid pesticide compositions BASF AG (DE) 2007-06-13 CN disclosed
EP-1773121-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
WO-2006002984-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 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 (5 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-20220039385-A1 SOLID FORMULATION OF HERBICIDAL COMPOSITION AND PREPARING METHOD THEREOF ARSA, AGXT, GYPA CA1 1208/4885BLM 616/4885CYP3A4 238/4885
US-20100255992-A1 Soluble Liquid Formulations of Quinclorac Ammonium Salts SLC3A2, SLC9B2, SLC1A5 CA1 3274/4885BLM 1352/4885CYP3A4 399/4885
US-20190150439-A1 SOLUBLE LIQUID FORMULATIONS OF QUINCLORAC AMMONIUM SALTS GLUL, ASNS, GLS CA1 1183/4885BLM 3119/4885CYP3A4 1435/4885
US-20150305336-A1 Soluble liquid formulations of quinclorac ammonium salts GLUL, ASNS, GLS CA1 1183/4885BLM 3119/4885CYP3A4 1435/4885
US-20070184983-A1 Liquid pesticide compositions CBR3, BBC3, DDT CA1 1883/4885BLM 725/4885CYP3A4 597/4885

“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.