SCHEMBL23709490

SCHEMBL23709490

CC1OC(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.47
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
EIF2AK2 P19525 1/20 0.41
SNCA P37840 1/20 0.41
MAPT P10636 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 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
SCHEMBL3379354 0.80 CAPN9 (0.42) PGRCAPN9CASP3ALDH1A1CYP3A4
SCHEMBL3378813 0.78 ALDH1A1 (0.48) PGRCAPN9CASP3ALDH1A1CYP3A4
SCHEMBL11427314 0.77 PGR (0.72) PGRCAPN9CASP3ALDH1A1CYP3A4
SCHEMBL10920098 0.75 BRD4 (0.47) PGRALDH1A1CYP1A2HSD17B10GAA
SCHEMBL5514499 0.75 KMT2A (0.56) PGRCAPN9CASP3ALDH1A1CYP3A4
SCHEMBL30100756 0.73 ALDH1A1 (0.51) PGRCAPN9CASP3ALDH1A1SMN1; SMN2
SCHEMBL17479578 0.73 ALDH1A1 (0.51) PGRCAPN9CASP3ALDH1A1SMN1; SMN2
SCHEMBL22476155 0.73 PGR (0.44) PGRSNCA
SCHEMBL10917248 0.73 CA2 (0.50) PGRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1347263 0.71 CRBN (0.46) PGRCAPN9CASP3ALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398940-B1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2022-06-22 EP disclosed
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2021-08-03 US 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-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof BOLA2; BOLA2B, MYB, PPA1 PGR 1764/4885CAPN9 3880/4885CASP3 3991/4885

“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.