SCHEMBL4852633

SCHEMBL4852633

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CC(C)(C)CC(C)(C)C2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.42
SUV39H2 Q9H5I1 5/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
TP53 P04637 2/20 0.39
TLR9 Q9NR96 1/20 0.38
BACE1 P56817 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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
ABCB1 P08183 1/20 0.37
CKS1B P61024 1/20 0.37

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
SCHEMBL5016701 0.88 TP53 (0.41) RETSUV39H2TP53TLR9BACE1
SCHEMBL4850990 0.87 TP53 (0.39) SUV39H2SMARCA2SMARCA4PBRM1TP53
SCHEMBL4253695 0.82 BACE1 (0.47) RETSMARCA2SMARCA4PBRM1BACE1
SCHEMBL4253853 0.82 ALDH1A1 (0.47) SMARCA2SMARCA4PBRM1TP53BACE1
SCHEMBL4853769 0.82 PDE4B (0.40) RETSUV39H2TP53TLR9BACE1
SCHEMBL4854049 0.79 GPR119 (0.46) SMARCA2SMARCA4PBRM1TP53ALDH1A1
SCHEMBL4253437 0.79 ESR2 (0.44) RETSMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL4250231 0.79 ESR2 (0.44) SMARCA2SMARCA4PBRM1BACE1ALDH1A1
SCHEMBL4255027 0.78 MAPT (0.40) SMARCA2SMARCA4PBRM1ALDH1A1LMNA
SCHEMBL4253782 0.78 GPR119 (0.46) SMARCA2SMARCA4PBRM1TP53BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
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
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (3 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 RET 1913/4885SUV39H2 611/4885SMARCA2 884/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 RET 2150/4885SUV39H2 603/4885SMARCA2 896/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 RET 2375/4885SUV39H2 634/4885SMARCA2 1014/4885

“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.