SCHEMBL9967783

SCHEMBL9967783

CC(C)/C=C/c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.35
AHR P35869 1/20 0.34
NPFFR1 Q9GZQ6 2/20 0.34
NPFFR2 Q9Y5X5 2/20 0.34
NOTUM Q6P988 2/20 0.34
GPR183 P32249 1/20 0.33
PDE2A O00408 4/20 0.33
P2RX7 Q99572 1/20 0.33
CHAT P28329 1/20 0.33
KIF11 P52732 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL9967775 0.78 CHAT (0.50) NPFFR2CHAT
SCHEMBL13597784 0.77 TRPA1 (0.41) AHRCHATNFE2L2
SCHEMBL256051 0.77 APP (0.39) APPAHRNPFFR1NPFFR2NOTUM
SCHEMBL28117888 0.74 KIF11 (0.38) APPAHRNPFFR1NPFFR2NOTUM
SCHEMBL16638511 0.73 CHAT (0.33) CHAT
SCHEMBL472520 0.73 ALDH1A1 (0.57) NPFFR1NPFFR2NOTUMKIF11
SCHEMBL29417704 0.73 ALDH1A1 (0.57) NPFFR1NPFFR2NOTUMKIF11
SCHEMBL12650395 0.71 CYP1A2 (0.50) AHRNFE2L2
SCHEMBL9967716 0.71 CYP1A2 (0.50) AHRNFE2L2
SCHEMBL20086552 0.70 P2RX7 (0.42) P2RX7NFE2L2

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-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
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 (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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD APP 4313/4885AHR 1551/4885NPFFR1 294/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD APP 4313/4885AHR 1551/4885NPFFR1 294/4885

“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.