SCHEMBL5016701

SCHEMBL5016701

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CCC(C)(C)CC2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
SUV39H2 Q9H5I1 4/20 0.40
RET P07949 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
PDE4B Q07343 2/20 0.39
STS P08842 1/20 0.39
TLR9 Q9NR96 1/20 0.38
BACE1 P56817 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL4853769 0.89 PDE4B (0.40) TP53SUV39H2RETMEN1KMT2A
SCHEMBL4852633 0.88 RET (0.42) TP53SUV39H2RETMEN1KMT2A
SCHEMBL5016246 0.85 USP2 (0.42) TP53ALDH1A1LMNAPDE4BSTS
SCHEMBL4253771 0.82 BACE1 (0.47) ALDH1A1LMNABACE1MAPTKDM4E
SCHEMBL4258536 0.78 GPR119 (0.49) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL18092188 0.77 MAPT (0.38) ALDH1A1LMNAMAPTKDM4E
SCHEMBL4854093 0.76 MAPT (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4848394 0.76 USP2 (0.40) TP53ALDH1A1LMNAPDE4BGPR119
SCHEMBL4850990 0.75 TP53 (0.39) TP53SUV39H2ALDH1A1LMNAPDE4B
SCHEMBL4857707 0.74 GPR119 (0.49) ALDH1A1LMNAMAPTGPR119

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-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 TP53 1878/4885SUV39H2 611/4885RET 1913/4885

“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.