SCHEMBL783874

SCHEMBL783874

COC(=O)C(C(=O)c1ncccc1O)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 2/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
P2RY1 P47900 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
P2RX7 Q99572 1/20 0.36
NOTUM Q6P988 1/20 0.35
ELANE P08246 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
FTO Q9C0B1 1/20 0.35
CNR2 P34972 2/20 0.35
SCD O00767 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL2009099 0.89 NFE2L2 (0.42) NFE2L2ALDH1A1ADAMTS5P2RY1SLC22A12
SCHEMBL2484934 0.85 TLR7 (0.42) TLR7NFE2L2ADAMTS5TRPM8EGLN2
SCHEMBL2012467 0.83 SCD (0.45) NFE2L2P2RY1SLC22A12NOTUMSCD
SCHEMBL12631173 0.82 SCD (0.45) NFE2L2P2RY1SLC22A12SCDSMN1; SMN2
SCHEMBL12631176 0.80 KDM4E (0.46) NFE2L2ALDH1A1P2RY1SCDSMN1; SMN2
SCHEMBL783872 0.79 RXRA (0.44) NFE2L2ALDH1A1
SCHEMBL2008455 0.77 GAA (0.41) NFE2L2ALDH1A1TRPM8
SCHEMBL12631556 0.76 SCD (0.36) NFE2L2ADAMTS5P2RY1SLC22A12SCD
SCHEMBL8917002 0.76 ALDH1A1 (0.44) ALDH1A1CNR2SMN1; SMN2MAPK1
SCHEMBL784497 0.75 ALDH1A1 (0.36) TLR7ALDH1A1EGLN2FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action BASF SE (DE) 2012-03-22 US disclosed
EP-2379503-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2011-10-26 EP disclosed
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2011-10-13 US disclosed
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 WO disclosed
WO-2010139658-A1 SUBSTITUTED PYRIDOPYRAZINES WITH A HERBICIDAL ACTION BASF SE (DE) 2010-12-09 WO disclosed
WO-2010069802-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2010-06-24 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 (2 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-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action PLPBP, PNPO, PFAS TLR7 4215/4885NFE2L2 1583/4885ALDH1A1 313/4885
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION DDT, KHK, HK1 TLR7 4678/4885NFE2L2 1466/4885ALDH1A1 206/4885

“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.