SCHEMBL783872

SCHEMBL783872

COC(=O)C(C(=O)c1ncccc1OCc1ccc(OC)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NFE2L2 Q16236 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
GAA P10253 3/20 0.40
PPIA P62937 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
POLB P06746 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL2008455 0.84 GAA (0.41) NFE2L2GAALMNAMAPTTDP1
SCHEMBL2009099 0.80 NFE2L2 (0.42) NFE2L2GAAALDH1A1
SCHEMBL783874 0.79 TLR7 (0.42) NFE2L2ALDH1A1
SCHEMBL2012467 0.76 SCD (0.45) NFE2L2KMT2APOLB
SCHEMBL12631173 0.75 SCD (0.45) NFE2L2KMT2APOLB
SCHEMBL784068 0.74 RAB9A (0.60) NPC1RAB9APPIALMNAMAPT
SCHEMBL12631176 0.73 KDM4E (0.46) NFE2L2ALDH1A1KMT2APOLB
SCHEMBL784516 0.73 RAB9A (0.62) RXRARXRBRXRGNPC1RAB9A
SCHEMBL30893766 0.73 NPC1 (0.62) RXRANPC1RAB9APPIAMAPT
SCHEMBL27200112 0.73 NPC1 (0.62) RXRANPC1RAB9APPIAMAPT

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-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action BASF SE (DE) 2012-03-22 US 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

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 RXRA 2156/4885RXRB 2215/4885RXRG 2231/4885
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION DDT, KHK, HK1 RXRA 2254/4885RXRB 2503/4885RXRG 2299/4885

“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.