SCHEMBL9967786

SCHEMBL9967786

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CMA1 P23946 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
DHODH Q02127 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
SCHEMBL9967774 0.86 AHR (0.48) AHRPTGS1PTGS2DHODH
SCHEMBL9967780 0.86 PTGS1 (0.47) PTGS1PTGS2DHODH
SCHEMBL9967784 0.77 AHR (0.38) AHRDHODH
SCHEMBL16638194 0.77 AHR (0.50) AHRPTGS1RAPGEF4
SCHEMBL23465240 0.76 AHR (0.33) AHRPTGS1PTGS2CMA1
SCHEMBL257116 0.73 AHR (0.36) AHRPTGS1PTGS2RAPGEF4
SCHEMBL19120301 0.73 EPAS1 (0.34) PTGS1PTGS2
SCHEMBL16618475 0.73 RAPGEF4 (0.36) AHRPTGS1PTGS2RAPGEF4
SCHEMBL13597784 0.72 TRPA1 (0.41) AHR
SCHEMBL18144113 0.72 AHR (0.77) AHRPTGS1PTGS2

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 AHR 1551/4885PTGS1 785/4885PTGS2 1501/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD AHR 1551/4885PTGS1 785/4885PTGS2 1501/4885

“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.