SCHEMBL19601152

SCHEMBL19601152

COC(=O)c1cc(OC)c([N+](=O)[O-])cn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.42
OPRK1 P41145 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK1 O14757 1/20 0.41
LCK P06239 1/20 0.40

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
SCHEMBL14333101 0.86 ALDH1A1 (0.50) PKMALDH1A1LMNAMAPT
SCHEMBL4806468 0.83 PDGFRB (0.45) ALDH1A1OPRK1MAPTMAPK1POLB
SCHEMBL31419042 0.83 PDGFRB (0.45) ALDH1A1OPRK1MAPTMAPK1POLB
SCHEMBL1336270 0.82 MAPK1 (0.45) PKMALDH1A1LMNAOPRK1MAPT
SCHEMBL18806713 0.80 PDGFRB (0.45) PKMALDH1A1OPRK1MAPTMAPK1
SCHEMBL17806419 0.79 MAPT (0.48) ALDH1A1OPRK1MAPTMAPK1POLB
SCHEMBL17222837 0.78 ALDH1A1 (0.44) PKMALDH1A1LMNAMAPTHTT
SCHEMBL221671 0.78 ALDH1A1 (0.44) PKMALDH1A1LMNAMAPTHTT
SCHEMBL23714349 0.76 MAPK1 (0.47) PKMALDH1A1LMNAMAPTMAPK1
SCHEMBL4719832 0.76 ALDH1A1 (0.46) PKMALDH1A1LMNAMAPTMAPK1

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
US-9832999-B1 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-05 US disclosed
US-20170325458-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 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-20170325458-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 PKM 1115/4885ALDH1A1 3812/4885LMNA 846/4885

“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.