SCHEMBL2597640

SCHEMBL2597640

CC[C@@H](Oc1ccc(Cl)cc1C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
HTR2B P41595 1/20 0.66
PPARA Q07869 8/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.55
PPARG P37231 5/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TRPM4 Q8TD43 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALOX12 P18054 1/20 0.48
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL2210931 1.00 TSHR (0.66) TSHRHTR2AHTR2CHTR2BPPARA
Dimethylamine SCHEMBL28258492 0.96 TSHR (0.61) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL5492481 0.89 TSHR (0.53) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL28593031 0.88 TSHR (0.55) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL6097869 0.88 SMN1; SMN2 (0.59) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL2597641 0.88 SMN1; SMN2 (0.59) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL1935421 0.87 TSHR (0.56) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL7209913 0.87 TSHR (0.56) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL4182558 0.87 TSHR (0.64) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL9780844 0.86 PPARA (0.68) TSHRHTR2AHTR2CHTR2BPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2554049-B1 Herbicidal composition with improved efficiency, preparation method and use ARD SA (FR) 2016-03-02 EP claimed
US-8709978-B2 Herbicide composition having improved effectiveness, method of preparation and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2014-04-29 US claimed
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2013-11-28 US claimed
US-20130035234-A1 HERBICIDE COMPOSITION HAVING IMPROVED EFFECTIVENESS, METHOD OF PREPARATION AND USE AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-07 US claimed
WO-2011143690-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2011-11-24 WO claimed
US-20100261609-A1 Phenoxy Alkanoate Herbicidal Composition and Method of Preparation and Use Nufarm Australia Limited, an Australian Company (AU) 2010-10-14 US claimed
US-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof NUFARM AUSTRALIA LIMITED (AU) 2009-10-01 US claimed
CN-101448776-A Glyceride ester derivatives of herbicidal compounds and compositions thereof NUFARM AUSTRALIA LTD (AU) 2009-06-03 CN claimed
EP-2040551-A1 PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE NUFARM AUSTRALIA LIMITED (AU) 2009-04-01 EP claimed
EP-2001830-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2008-12-17 EP claimed
WO-2007147208-A1 PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE NUFARM AUSTRALIA LIMITED (AU) 2007-12-27 WO claimed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 WO claimed
US-8962527-B2 Process for preparation of herbicidal salts NUFARM AUSTRALIA LIMITED (AU) 2015-02-24 US disclosed
US-8709978-B2 Herbicide composition having improved effectiveness, method of preparation and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2014-04-29 US disclosed
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2013-11-28 US disclosed
US-20130035234-A1 HERBICIDE COMPOSITION HAVING IMPROVED EFFECTIVENESS, METHOD OF PREPARATION AND USE AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-07 US disclosed
CN-101448776-A Glyceride ester derivatives of herbicidal compounds and compositions thereof NUFARM AUSTRALIA LTD (AU) 2009-06-03 CN disclosed
EP-2040551-A1 PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE NUFARM AUSTRALIA LIMITED (AU) 2009-04-01 EP disclosed
WO-2007147208-A1 PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE NUFARM AUSTRALIA LIMITED (AU) 2007-12-27 WO disclosed
WO-2007030885-A1 AGROCHEMICAL EMULSIFIABLE CONCENTRATE NUFARM AUSTRALIA LIMITED (AU) 2007-03-22 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 (4 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-20130035234-A1 HERBICIDE COMPOSITION HAVING IMPROVED EFFECTIVENESS, METHOD OF PREPARATION AND USE DDT, HDHD5, PAOX TSHR 2444/4885HTR2A 1634/4885HTR2C 1638/4885
US-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof PYM1, GRM4, GPR4 TSHR 2549/4885HTR2A 1396/4885HTR2C 562/4885
US-20100261609-A1 Phenoxy Alkanoate Herbicidal Composition and Method of Preparation and Use DDT, ALKBH3, PAOX TSHR 2103/4885HTR2A 1107/4885HTR2C 805/4885
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS DDT, DDC, HDHD5 TSHR 1227/4885HTR2A 1477/4885HTR2C 969/4885

“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.