SCHEMBL22898043

SCHEMBL22898043

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 3/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
S100A4 P26447 1/20 0.35
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL29559430 1.00 ALDH1A1 (0.44) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL25234798 0.85 ALDH1A1 (0.48) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL8744249 0.84 TDP1 (0.47) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL27831403 0.84 TDP1 (0.38) ALDH1A1TDP1TSHRSMN1; SMN2S100A4
SCHEMBL8723930 0.82 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCYP3A4S100A4
SCHEMBL8439887 0.82 S100A4 (0.43) ALDH1A1TDP1TSHRCYP3A4GRIN2D
SCHEMBL8832338 0.80 TSHR (0.49) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL16400809 0.79 ALDH1A1 (0.46) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL31729335 0.78 TDP1 (0.64) ALDH1A1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL67211 0.78 TDP1 (0.64) ALDH1A1TDP1TSHRSMN1; SMN2MEN1

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 5 patents. 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

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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 150/4885TDP1 490/4885TSHR 2668/4885

“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.