SCHEMBL419197

SCHEMBL419197

CCc1ccc(Br)cc1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PRNP P04156 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ERN1 O75460 1/20 0.35

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
SCHEMBL407958 0.83 SMN1; SMN2 (0.41) TSHRCA1CA2SMN1; SMN2KDM4E
SCHEMBL3787954 0.77 LPL (0.50) CA1CA2SMN1; SMN2ALDH1A1POLB
SCHEMBL4284077 0.75 GGPS1 (0.41) SMN1; SMN2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL7787482 0.75 GABRA1 (0.44) TSHRSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL8715929 0.75 TSHR (0.46) TSHRCA1CA2SMN1; SMN2ALDH1A1
SCHEMBL23730533 0.74 LIPG (0.39) POLBGABRA1GABRB2NPSR1L3MBTL1
SCHEMBL30777878 0.74 ALOX15 (0.44) TSHRSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL1005997 0.74 ALOX15 (0.44) TSHRSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL29755107 0.73 CA1 (0.44) TSHRCA1CA2SMN1; SMN2ALDH1A1
SCHEMBL882732 0.73 PYCR1 (0.47) TSHRSMN1; SMN2ALDH1A1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
EP-2155645-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS Syngenta Limited (GB) 2010-02-24 EP disclosed
WO-2009150093-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-17 WO disclosed
WO-2009150093-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-17 WO disclosed
WO-2009150094-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-12-17 WO disclosed
WO-2009150094-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-12-17 WO disclosed
EP-2102181-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-09-23 EP disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 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 (1 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TSHR 1474/4885CA1 896/4885CA2 617/4885

“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.