SCHEMBL21175971

SCHEMBL21175971

COCCCOc1cc(C2COC(C)(C)C2=O)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.36
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HTR1A P08908 10/20 0.33
CYP2D6 P10635 5/20 0.33
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
REN P00797 2/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 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
SCHEMBL29613183 0.87 PDE4A (0.42) TP53GAAPDE4APDE4BPDE4C
SCHEMBL19252770 0.87 PDE4A (0.42) TP53GAAPDE4APDE4BPDE4C
SCHEMBL19270708 0.77 NPC1 (0.39) TP53GAAKDM4EPDE4APDE4B
SCHEMBL21175956 0.76 SLC6A4 (0.37) SLC6A4HTR1ACYP2D6ATMKDM4E
SCHEMBL21175808 0.75 SLC6A4 (0.36) SLC6A4HTR1AATMRENNPC1
SCHEMBL21175739 0.72 KDM4E (0.33) SLC6A4KDM4EUSP2RENL3MBTL1
SCHEMBL18425422 0.68 PDE4A (0.43) TP53GAAPDE4APDE4BPDE4C
SCHEMBL29613172 0.68 PDE4A (0.43) TP53GAAPDE4APDE4BPDE4C
SCHEMBL21175718 0.68 SLC6A4 (0.33) SLC6A4KDM4EUSP2NPC1CYP1A2
SCHEMBL29613158 0.67 HTR2C (0.39) TP53GAAHTR1ACYP2D6ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
WO-2019143902-A2 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 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 (2 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-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 SLC6A4 4414/4885TP53 526/4885GAA 1175/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 SLC6A4 4414/4885TP53 526/4885GAA 1175/4885

“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.