SCHEMBL9967767

SCHEMBL9967767

CC(C)/C=C/c1ccc(Br)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
GPR183 P32249 1/20 0.36
NFE2L2 Q16236 4/20 0.35
DGAT1 O75907 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
MIF P14174 1/20 0.32
EGFR P00533 1/20 0.31
RET P07949 1/20 0.31
KIF5B P33176 1/20 0.31

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
SCHEMBL9967725 0.81 NFE2L2 (0.55) CYP1A1CYP1A2CYP1B1NFE2L2PTGS1
SCHEMBL12732543 0.79 GPR183 (0.39) CYP1A1CYP1A2CYP1B1GPR183NFE2L2
SCHEMBL29018080 0.78 PDE2A (0.35) GPR183
SCHEMBL9967763 0.78 NFE2L2 (0.37) CYP1A1CYP1A2CYP1B1GPR183NFE2L2
SCHEMBL24434458 0.76 CYP1A2 (0.63) CYP1A1CYP1A2CYP1B1NFE2L2KDM4E
SCHEMBL2094145 0.75 GPR183 (0.39) CYP1A1CYP1A2CYP1B1GPR183NFE2L2
SCHEMBL2094144 0.75 GPR183 (0.39) CYP1A1CYP1A2CYP1B1GPR183NFE2L2
SCHEMBL1428554 0.74 CYP1A1 (0.40) APLNRCYP1A1CYP1A2CYP1B1GPR183
SCHEMBL8291060 0.74 DGAT1 (0.38) CYP1A1CYP1A2CYP1B1GPR183NFE2L2
SCHEMBL14416453 0.74 DGAT1 (0.38) CYP1A1CYP1A2CYP1B1GPR183NFE2L2

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 5 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

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 APLNR 3666/4885CYP1A1 603/4885CYP1A2 862/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD APLNR 3666/4885CYP1A1 603/4885CYP1A2 862/4885

“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.