SCHEMBL16638194

SCHEMBL16638194

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.50
RAPGEF4 Q8WZA2 1/20 0.36
NOTUM Q6P988 1/20 0.34
PDE2A O00408 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PTGS1 P23219 1/20 0.32
P2RX3 P56373 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL9967782 0.87 NFE2L2 (0.37) AHRPDE2ANFE2L2PTGS1
SCHEMBL9967774 0.81 AHR (0.48) AHRPTGS1
SCHEMBL9967786 0.77 AHR (0.38) AHRRAPGEF4PTGS1
SCHEMBL2177901 0.77 AHR (0.55) AHRRAPGEF4NOTUMNFE2L2PTGS1
SCHEMBL256046 0.76 AHR (0.50) AHRRAPGEF4NOTUMNFE2L2
SCHEMBL30739715 0.74 AHR (0.71) AHRNFE2L2PTGS1
SCHEMBL18144159 0.74 AHR (0.71) AHRNFE2L2PTGS1
SCHEMBL18144154 0.74 AHR (0.71) AHRNFE2L2PTGS1
SCHEMBL9967724 0.74 NFE2L2 (0.60) NFE2L2MAOAMAOB
SCHEMBL9967784 0.73 AHR (0.38) AHR

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 AHR 1551/4885RAPGEF4 2093/4885NOTUM 3986/4885

“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.