SCHEMBL9967780

SCHEMBL9967780

CC(C)/C=C/c1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 3/20 0.47
NQO2 P16083 1/20 0.35
NFE2L2 Q16236 6/20 0.34
BACE1 P56817 1/20 0.34
RELA Q04206 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP11B1 P15538 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
DHODH Q02127 1/20 0.32
ALOX5 P09917 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
SCHEMBL9967786 0.86 AHR (0.38) PTGS1PTGS2DHODH
SCHEMBL19120301 0.81 EPAS1 (0.34) PTGS1PTGS2
SCHEMBL24490126 0.79 TUBB1 (0.48) PTGS1NQO2NFE2L2RELADHODH
SCHEMBL9967778 0.79 NFE2L2 (0.65) PTGS1PTGS2NQO2NFE2L2RELA
SCHEMBL2875033 0.79 NFE2L2 (0.65) PTGS1PTGS2NQO2NFE2L2RELA
SCHEMBL2869906 0.76 NFE2L2 (0.54) PTGS1PTGS2NQO2NFE2L2ALOX5
SCHEMBL105258 0.76 NFE2L2 (0.54) PTGS1PTGS2NQO2NFE2L2ALOX5
SCHEMBL25519822 0.74 ALOX5 (0.30) ALOX5
SCHEMBL24741235 0.73 PTGS1 (0.44) PTGS1PTGS2NQO2NFE2L2BACE1
SCHEMBL6982736 0.72 PTGS1 (0.52) PTGS1PTGS2NQO2NFE2L2BACE1

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 PTGS1 785/4885PTGS2 1501/4885NQO2 210/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD PTGS1 785/4885PTGS2 1501/4885NQO2 210/4885

“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.