SCHEMBL9604701

SCHEMBL9604701

CC(C)c1ccc(-n2cnc(CO)c2)c(CO)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
CPB1 P15086 2/20 0.31
CPB2 Q96IY4 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
SCD O00767 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
CRHR1 P34998 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
SCHEMBL6124278 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10191217 0.78 PDE3B (0.34) KDM4EL3MBTL1PDE3BPDE3AACHE
SCHEMBL6124274 0.76 ALDH1A1 (0.42) GAA
SCHEMBL4425634 0.76 RXRA (0.44) PDE3BPDE3ACPB1CPB2
SCHEMBL23903553 0.74 EGLN1 (0.36) PDE3BPDE3ACPB1CPB2RAB9A
SCHEMBL7886140 0.73 TLR2 (0.45) GAA
SCHEMBL13712994 0.72 CPB1 (0.40) L3MBTL1PDE3BPDE3ACPB1CPB2
SCHEMBL11047534 0.71 COMT (0.46) KDM4EPDE3BPDE3ACPB1CPB2
SCHEMBL6124237 0.70 PSEN1 (0.43) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL12913421 0.70 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 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-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP KDM4E 3154/4885L3MBTL1 4219/4885PDE3B 837/4885

“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.