SCHEMBL9967727

SCHEMBL9967727

CC(C)/C=C/c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.42
CYP2D6 P10635 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL26137542 0.87 CYP3A4 (0.39) CYP2D6ALDH1A1CYP3A4NFE2L2MAPT
SCHEMBL26137543 0.86 CYP3A4 (0.38) CYP2D6ALDH1A1CYP3A4NFE2L2MAPT
SCHEMBL13790221 0.82 CYP2D6 (0.50) CYP2D6GRIK1GRIK2PIM1PIM2
SCHEMBL9060858 0.81 NFE2L2 (0.62) CYP2D6ALDH1A1CYP3A4NFE2L2MAPT
SCHEMBL9060861 0.81 NFE2L2 (0.62) CYP2D6ALDH1A1CYP3A4NFE2L2MAPT
SCHEMBL9967779 0.80 MAPT (0.46) CYP2D6PIM1PIM2ALDH1A1CYP3A4
SCHEMBL3844916 0.79 KDM4E (0.57) PDE2ACYP2D6GRIK1GRIK2PIM1
SCHEMBL24434700 0.78 CYP3A4 (0.61) CYP2D6ALDH1A1CYP3A4NFE2L2MAPT
SCHEMBL9967708 0.78 CYP3A4 (0.61) CYP2D6ALDH1A1CYP3A4NFE2L2MAPT
SCHEMBL9061561 0.77 RELA (0.59) CYP2D6PIM1PIM2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 US disclosed
US-20200029566-A1 Pesticial Compounds BASF SE (DE) 2020-01-30 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 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 (4 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD PDE2A 2251/4885CYP2D6 764/4885GRIK1 781/4885
US-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 PDE2A 386/4885CYP2D6 1333/4885GRIK1 3232/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD PDE2A 2251/4885CYP2D6 764/4885GRIK1 781/4885
US-20200029566-A1 Pesticial Compounds PNMT, DDT, NIT2 PDE2A 386/4885CYP2D6 1333/4885GRIK1 3232/4885

“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.