SCHEMBL9967726

SCHEMBL9967726

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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) ACACBGRM5KDM4EALDH1A1LMNA
SCHEMBL9967723 0.82 KCNH2 (0.40) ACACBGRM5KDM4EALDH1A1LMNA
SCHEMBL9967692 0.78 KIF11 (0.36) ACACBGRM5KDM4EALDH1A1LMNA
SCHEMBL10254253 0.74 MEN1 (0.39) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL20015760 0.71 CYP2A6 (0.57) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL1246271 0.71 CYP2A6 (0.57) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL16638501 0.67 GRM5 (0.45) GRM5
SCHEMBL12417833 0.67 HTR2A (0.32)
SCHEMBL2301283 0.66 CHRM2 (0.36)
SCHEMBL18257924 0.66 ACACB (0.38) ACACBALDH1A1

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 ACACB 3394/4885GRM5 1892/4885KDM4E 2891/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD ACACB 3394/4885GRM5 1892/4885KDM4E 2891/4885

“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.