SCHEMBL159495

SCHEMBL159495

CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GALR3 O60755 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.44
CREBBP Q92793 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
GPR35 Q9HC97 3/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.40
CCR6 P51684 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL30124171 1.00 KMT2A (0.53) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL10977678 0.90 KMT2A (0.54) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL10985384 0.88 KMT2A (0.57) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL10977680 0.88 KMT2A (0.57) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL11563856 0.86 KMT2A (0.52) KMT2AMEN1HTTSMN1; SMN2LMNA
SCHEMBL25874904 0.85 ALDH1A1 (0.44) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL26218851 0.85 ALDH1A1 (0.48) KMT2AMEN1HTTSMN1; SMN2GALR3
Methacrylic Acid SCHEMBL27555674 0.83 KMT2A (0.44) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL159094 0.82 TDP1 (0.48) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL27469667 0.82 TDP1 (0.63) KMT2AMEN1HTTSMN1; SMN2GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
US-20230000079-A1 COMBINATION COMPRISING A TRIKETONE HERBICIDE AND A DIPHENYLETHER HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION Generic Crop Science LLC (US) 2023-01-05 US claimed
US-20210378241-A1 COMBINATION COMPRISING A BENZAMIDE HERBICIDE AND A PYRIDINE CARBOXYLIC ACID HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION Generic Crop Science LLC (US) 2021-12-09 US claimed
EP-3174865-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 EP claimed
US-20200236925-A1 METHODS AND FORMULATIONS FOR PREVENTING DOWNWARD MIGRATION OF AGRICULTURAL MATERIALS DISCOVERY PURCHASER CORPORATION 2020-07-30 US claimed
WO-2020154349-A1 METHODS AND FORMULATIONS FOR PREVENTING DOWNWARD MIGRATION OF AGRICULTURAL MATERIALS BAYER CROPSCIENCE LP (US) 2020-07-30 WO claimed
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US claimed
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-02-20 US claimed
EP-3145312-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-11-20 EP claimed
EP-3160943-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-09-18 EP claimed
WO-2012154533-A2 CONTROLLING PLANTHOPPERS DOW AGROSCIENCES LLC (US) 2012-11-15 WO claimed
WO-2012154537-A1 CONTROLLING PLANTHOPPERS DOW AGROSCIENCES LLC (US) 2012-11-15 WO claimed
US-20120283100-A1 CONTROLLING PLANTHOPPERS DOW AGROSCIENCES LLC (US) 2012-11-08 US claimed
US-20120283099-A1 CONTROLLING PLANTHOPPERS DOW AGROSCIENCES LLC (US) 2012-11-08 US claimed
US-20120195974-A1 CONTROLLING MEALYBUGS DOW AGROSCIENCES LLC (US) 2012-08-02 US claimed
WO-2012103393-A2 CONTROLLING MEALYBUGS DOW AGROSCIENCES LLC (US) 2012-08-02 WO claimed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO claimed
WO-2012061288-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO claimed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 US claimed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US claimed

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-20230000079-A1 COMBINATION COMPRISING A TRIKETONE HERBICIDE AND A DIPHENYLETHER HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION DDT, TDO2, DNTT KMT2A 1602/4885MEN1 4740/4885HTT 475/4885
US-20210378241-A1 COMBINATION COMPRISING A BENZAMIDE HERBICIDE AND A PYRIDINE CARBOXYLIC ACID HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION DDT, GAP43, PDHA2 KMT2A 2371/4885MEN1 4629/4885HTT 622/4885
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT KMT2A 3634/4885MEN1 2951/4885HTT 4543/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KMT2A 3565/4885MEN1 2610/4885HTT 4384/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS KMT2A 3565/4885MEN1 2610/4885HTT 4384/4885

“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.