SCHEMBL21175718

SCHEMBL21175718

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
CTSB P07858 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOB P27338 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL19252801 0.87 CTSB (0.42) L3MBTL1NPC1CYP1A2MAPTCYP2C9
SCHEMBL19272934 0.77 PDE4B (0.41) KDM4ECYP1A2MAPTMEN1KMT2A
SCHEMBL29365209 0.69 MAPT (0.50) NPC1CYP1A2MAPTCYP2C9HPGD
SCHEMBL22589459 0.69 MAPT (0.50) NPC1CYP1A2MAPTCYP2C9HPGD
SCHEMBL21175971 0.68 SLC6A4 (0.36) SLC6A4KDM4EUSP2L3MBTL1NPC1
SCHEMBL3061569 0.67 L3MBTL1 (0.60) SLC6A4KDM4EUSP2L3MBTL1NPC1
SCHEMBL22589647 0.66 SLC6A4 (0.42) SLC6A4KDM4EUSP2L3MBTL1NPC1
SCHEMBL21175981 0.66 SLC6A4 (0.42) SLC6A4KDM4EUSP2L3MBTL1NPC1
SCHEMBL3081718 0.65 SLC6A4 (0.50) SLC6A4KDM4EUSP2L3MBTL1NPC1
SCHEMBL3488019 0.65 TSHR (0.48) KDM4EUSP2HPGDALDH1A1KMT2A

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 4414/4885KDM4E 1806/4885USP2 3480/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 SLC6A4 4414/4885KDM4E 1806/4885USP2 3480/4885

“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.