SCHEMBL9967774

SCHEMBL9967774

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.48
TSHR P16473 1/20 0.38
DHODH Q02127 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
RELA Q04206 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL9967784 0.86 AHR (0.38) AHRDHODH
SCHEMBL9967786 0.86 AHR (0.38) AHRDHODHPTGS1PTGS2
SCHEMBL16638194 0.81 AHR (0.50) AHRPTGS1
SCHEMBL24434767 0.79 RELA (0.56) RELA
SCHEMBL9967761 0.79 RELA (0.56) RELA
SCHEMBL10131184 0.76 AHR (0.48) AHRALOX5PTGS1PTGS2
SCHEMBL14465008 0.76 AHR (0.48) AHRALOX5PTGS1PTGS2
SCHEMBL9967711 0.76 AHR (0.48) AHRALOX5PTGS1PTGS2
SCHEMBL8440402 0.75 TSHR (0.42) AHRTSHRGABRA1GABRB1
SCHEMBL18851547 0.72 AHR (0.54) AHRTSHRALOX5PTGS1PTGS2

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 1551/4885TSHR 2792/4885DHODH 18/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD AHR 1551/4885TSHR 2792/4885DHODH 18/4885

“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.