SCHEMBL1355836

SCHEMBL1355836

Cc1ccc(C(=O)O)c([N+](=O)[O-])c1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.51
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HAAO P46952 1/20 0.39

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
SCHEMBL29561089 1.00 TSHR (0.51) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL8671212 0.88 TSHR (0.59) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL3478112 0.88 TSHR (0.59) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2381586 0.87 TSHR (0.54) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28300921 0.86 TSHR (0.53) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27505005 0.85 TDP1 (0.44) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL27338694 0.85 ALDH1A1 (0.42) TSHRALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL27926224 0.83 CES2 (0.47) TSHRALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL8578465 0.83 TSHR (0.50) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL503509 0.83 ALDH1A1 (0.48) TSHRALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 EP disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
US-8859592-B2 Insecticidal compounds SYNGENTA CORP PROTECTION LLC (US) 2014-10-14 US disclosed
US-8859592-B2 Insecticidal compounds SYNGENTA CORP PROTECTION LLC (US) 2014-10-14 US disclosed
US-8859592-B2 Insecticidal compounds SYNGENTA CORP PROTECTION LLC (US) 2014-10-14 US disclosed
US-20130245072-A1 INSECTICIDAL COMPOUNDS SYNGENTA CORP PROTECTION LLC (US) 2013-09-19 US disclosed
US-20130245072-A1 INSECTICIDAL COMPOUNDS SYNGENTA CORP PROTECTION LLC (US) 2013-09-19 US disclosed
US-20110288089-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-24 US disclosed
US-20110288089-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-24 US disclosed
US-20110288089-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-24 US disclosed
EP-2379541-A2 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2011-10-26 EP disclosed
WO-2010084067-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-07-29 WO disclosed
WO-2010084067-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-07-29 WO disclosed
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME GRAND PHARMA (CHINA) CO., LTD. (CN) 2010-04-22 US disclosed
WO-2008048117-A2 SYNTHESIS OF 5,6-DIMETHYL-9-OXO-9H-XANTHEN-4-YL- ACETIC ACID (DMXAA) AUCKLAND UNISERVICES LIMITED (NZ) 2008-04-24 WO disclosed
CN-1044245-C Tricyclic Dicarbonyl derivatives HAFFMANN LA ROCHE AG F (DE) 1999-07-21 CN disclosed
CN-1149295-A Tricyclic Dicarbonyl derivatives HOFFMANN LA ROCHE (CH) 1997-05-07 CN 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-20110288089-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 TSHR 2352/4885ALDH1A1 106/4885TDP1 3463/4885
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2668/4885ALDH1A1 150/4885TDP1 490/4885
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME HCAR2, HAO2, HK2 TSHR 742/4885ALDH1A1 1863/4885TDP1 4185/4885
US-20130245072-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 TSHR 2352/4885ALDH1A1 106/4885TDP1 3463/4885

“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.