SCHEMBL9967728

SCHEMBL9967728

Cc1ccc(C#Cc2ccc(C(C)C)o2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA1 P00915 2/20 0.38
KCNH2 Q12809 2/20 0.38
ACACB O00763 2/20 0.36
FFAR1 O14842 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP9 P14780 1/20 0.34
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL9967726 0.84 ACACB (0.38) GRM5ACACBALDH1A1KDM4ELMNA
SCHEMBL9967723 0.84 KCNH2 (0.40) GRM5KCNH2ACACBALDH1A1KDM4E
SCHEMBL9967692 0.80 KIF11 (0.36) GRM5ACACBALDH1A1KDM4ELMNA
SCHEMBL9967710 0.80 GRM5 (0.46) GRM5CA12CA2CA9CA1
SCHEMBL2110164 0.76 CA12 (0.43) GRM5CA12CA2CA9CA1
SCHEMBL256672 0.73 GRM5 (0.39) GRM5CA12CA2CA9CA1
SCHEMBL9445826 0.72 GRM5 (0.64) GRM5CA12CA2CA9CA1
SCHEMBL4457730 0.72 GRM5 (0.64) GRM5CA12CA2CA9CA1
SCHEMBL2110165 0.71 CA12 (0.40) GRM5CA12CA2CA9CA1
SCHEMBL2637104 0.70 ALDH1A1 (0.55) CA12CA2CA9CA1ACACB

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 GRM5 1892/4885CA12 4871/4885CA2 3747/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD GRM5 1892/4885CA12 4871/4885CA2 3747/4885

“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.