SCHEMBL9967723

SCHEMBL9967723

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
ACACB O00763 2/20 0.38
ADK P55263 2/20 0.37
GRM5 P41594 4/20 0.37
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
ADRB2 P07550 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PTGES O14684 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 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
SCHEMBL9967728 0.84 GRM5 (0.40) KCNH2ACACBGRM5LMNAKDM4E
SCHEMBL9967726 0.82 ACACB (0.38) ACACBGRM5LMNAKDM4EALDH1A1
SCHEMBL9967692 0.78 KIF11 (0.36) ACACBGRM5LMNAKDM4EALDH1A1
SCHEMBL256660 0.74 KCNH2 (0.39) KCNH2ACACBGRM5LMNAKDM4E
SCHEMBL20015814 0.71 LMNA (0.57) KCNH2ACACBADKGRM5LMNA
SCHEMBL719360 0.71 LMNA (0.57) KCNH2ACACBADKGRM5LMNA
Charcoal, Activated SCHEMBL31286310 0.68 KCNH2 (0.54) KCNH2ACACBADKGRM5LMNA
SCHEMBL16638501 0.67 GRM5 (0.45) GRM5PTGDR2PTGES
SCHEMBL12417833 0.67 HTR2A (0.32)
SCHEMBL2301283 0.66 CHRM2 (0.36)

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 KCNH2 2364/4885ACACB 3394/4885ADK 1184/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD KCNH2 2364/4885ACACB 3394/4885ADK 1184/4885

“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.