SCHEMBL9967692

SCHEMBL9967692

CC(C)c1ccc(C#Cc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
PTGES O14684 2/20 0.34
ACACB O00763 2/20 0.33
GRM5 P41594 1/20 0.33
P2RY6 Q15077 1/20 0.32
PDE2A O00408 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
AKR1C3 P42330 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
NR1H2 P55055 1/20 0.30

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
SCHEMBL16638501 0.82 GRM5 (0.45) PTGESGRM5PTGDR2PTPN1PTPN6
SCHEMBL257079 0.80 MAOA (0.39) KIF11GRM5P2RY6ALDH1A1KDM4E
SCHEMBL9967728 0.80 GRM5 (0.40) ACACBGRM5ALDH1A1KDM4ELMNA
SCHEMBL9967726 0.78 ACACB (0.38) ACACBGRM5ALDH1A1KDM4ELMNA
SCHEMBL9967723 0.78 KCNH2 (0.40) PTGESACACBGRM5ALDH1A1KDM4E
SCHEMBL14998069 0.74 KIF11 (0.56) KIF11P2RY6ALDH1A1
SCHEMBL16747679 0.74 KIF11 (0.56) KIF11P2RY6ALDH1A1
SCHEMBL10131279 0.70 KIF11 (0.44) KIF11PTGESACACBPDE2AALDH1A1
SCHEMBL18015848 0.69 PRMT1 (0.43) KIF11PDE2ALMNA
SCHEMBL10300108 0.69 KIF11 (0.47) KIF11GRM5ALDH1A1PTGDR2

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 KIF11 4298/4885PTGES 1117/4885ACACB 3394/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD KIF11 4298/4885PTGES 1117/4885ACACB 3394/4885

“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.