SCHEMBL23378342

SCHEMBL23378342

CC(C)COCCNC=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.46
ADH1A P07327 4/20 0.46
ADH1C P00326 3/20 0.46
ADH7 P40394 3/20 0.42
EPHX1 P07099 1/20 0.38
ADH4 P08319 1/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL18908679 0.96 ADH1B (0.43) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL23377979 0.83 ADH1B (0.43) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL5933549 0.80 HSD17B10 (0.33) ADH1BADH1AADH1CMEN1KMT2A
SCHEMBL10940490 0.80 ADH1B (0.48) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL24508685 0.79 ADH1B (0.40) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL25971297 0.78 ADH1B (0.39) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL22794222 0.78 ADH1B (0.39) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL24607375 0.77 KDM4E (0.39) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL24002261 0.77 KDM4E (0.39) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL433049 0.76

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
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
US-20220009903-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-01-13 US disclosed
WO-2021097046-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2021-05-20 WO 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-20220009903-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 ADH1B 2494/4885ADH1A 1824/4885ADH1C 2196/4885

“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.