SCHEMBL16019381

SCHEMBL16019381

COc1ccc(C(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
POLB P06746 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45

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
SCHEMBL17374957 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL29559830 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL9385318 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL1662886 0.80 ALDH1A1 (0.65) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL11258868 0.79 ALDH1A1 (0.55) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL10340370 0.78 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL14200099 0.78 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL27401847 0.77 MEN1 (0.46) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL16139490 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL6038596 0.77 POLB (0.52) ALDH1A1MAPK1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 ALDH1A1 861/4885MAPK1 1853/4885MEN1 4302/4885

“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.