SCHEMBL3526700

SCHEMBL3526700

O=c1cc(C2CC2)n(Cc2ccccc2)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
P2RX7 Q99572 5/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR2 P34972 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
C5AR1 P21730 1/20 0.38
HSD11B1 P28845 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL3535897 0.86 HSD11B1 (0.39) KDM4EL3MBTL1P2RX7HSD11B1TDP1
SCHEMBL3526806 0.85 GRM2 (0.37) KDM4EL3MBTL1P2RX7CNR2HSD11B1
SCHEMBL3533292 0.80 HSD11B1 (0.46) KDM4EALDH1A1L3MBTL1HSD11B1TDP1
SCHEMBL3533055 0.79 PDE4A (0.39) KDM4EALDH1A1ATML3MBTL1P2RX7
SCHEMBL3526762 0.79 HSD11B1 (0.43) KDM4EALDH1A1ATML3MBTL1P2RX7
SCHEMBL3531778 0.78 HSD11B1 (0.44) P2RX7SIGMAR1HSD11B1CYP3A4
SCHEMBL3531263 0.78 HSD11B1 (0.53) ALDH1A1SIGMAR1HSD11B1CYP3A4ADRA1D
SCHEMBL3529340 0.75 HSD11B1 (0.45) KDM4EALDH1A1L3MBTL1HSD11B1TDP1
SCHEMBL3530097 0.71 CYP3A4 (0.43) KDM4EALDH1A1HSD11B1TDP1CYP3A4
SCHEMBL3529672 0.70 HSD11B1 (0.45) ALDH1A1HSD11B1CYP3A4ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 KDM4E 2143/4885ALDH1A1 105/4885ATM 3006/4885

“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.