SCHEMBL449795

SCHEMBL449795

Cc1cc(-c2ccccc2)cc(C)c1C1C(=O)C2C3C=CC(CC3)C2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
BRD4 O60885 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ATM Q13315 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KMT2A Q03164 2/20 0.32
TNKS2 Q9H2K2 1/20 0.31
MEN1 O00255 1/20 0.31
AURKA O14965 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CASP1 P29466 1/20 0.31
TTK P33981 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
SCHEMBL447999 1.00 POLB (0.40) POLBBRD4L3MBTL1CNR1CNR2
SCHEMBL6727349 0.81 L3MBTL1 (0.43) BRD4L3MBTL1CNR1CNR2PDE4A
SCHEMBL18874380 0.81 L3MBTL1 (0.43) BRD4L3MBTL1CNR1CNR2PDE4A
SCHEMBL9110548 0.81 L3MBTL1 (0.43) BRD4L3MBTL1CNR1CNR2PDE4A
SCHEMBL6727360 0.72 HSD11B1 (0.34)
SCHEMBL18874127 0.72 HSD11B1 (0.34)
SCHEMBL430165 0.71 POLB (0.35) POLBBRD4L3MBTL1CNR1CNR2
SCHEMBL6727519 0.70 BRD4 (0.34) BRD4
SCHEMBL18874245 0.70 BRD4 (0.34) BRD4
SCHEMBL516169 0.70 MAOB (0.41) BRD4L3MBTL1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 POLB 4374/4885BRD4 2341/4885L3MBTL1 1453/4885

“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.