SCHEMBL4813745

SCHEMBL4813745

O=C1CCc2c(F)cc(CO)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
LOX P28300 1/20 0.34
HSD17B1 P14061 1/20 0.34
KDM4E B2RXH2 1/20 0.32
CASP6 P55212 1/20 0.32
MEN1 O00255 1/20 0.31
EPHX2 P34913 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.31
PBRM1 Q86U86 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
SRD5A1 P18405 1/20 0.30
ACHE P22303 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 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
SCHEMBL4820308 0.79 RXRA (0.36) MAOAMAOBKDM4ECASP6MEN1
SCHEMBL30067520 0.76 PBRM1 (0.46) MAOAMAOBLOXHSD17B1KDM4E
SCHEMBL30070543 0.75 MAOA (0.50) MAOAMAOBLOXHSD17B1KDM4E
SCHEMBL1225571 0.75 MAOA (0.50) MAOAMAOBLOXHSD17B1KDM4E
SCHEMBL27085852 0.74 GRM2 (0.44) KDM4ECASP6
SCHEMBL4807990 0.73 PTGS2 (0.32) MAOAMAOBPARP1
Methane SCHEMBL6936064 0.73 MAOA (0.49) MAOAMAOBLOXHSD17B1KDM4E
SCHEMBL3267564 0.72 BRD4 (0.38) MAOAMAOBHSD17B1KDM4EPARP1
SCHEMBL4817944 0.72 CHKA (0.46) KDM4EPARP1ACHE
SCHEMBL31140123 0.72 MEN1 (0.44) MAOAMAOBLOXHSD17B1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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 (1 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MAOA 1625/4885MAOB 1261/4885LOX 1065/4885

“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.