SCHEMBL21176367

SCHEMBL21176367

CC(C(=O)C(=O)NCCC1CCOCC1)N(C=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
SIGMAR1 Q99720 2/20 0.35
CTSD P07339 1/20 0.35
EPHX1 P07099 1/20 0.34
BCHE P06276 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.31
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RORC P51449 1/20 0.30
NAMPT P43490 1/20 0.30
PRMT3 O60678 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
SCHEMBL19974720 0.79 ADH1C (0.47) ADH1BADH1CADH1AEPHX1ALDH1A1
SCHEMBL21183524 0.79 ADH1A (0.47) ADH1BADH1CADH1AEPHX1ALDH1A1
SCHEMBL21183526 0.78 ADH1A (0.49) ADH1BADH1CADH1ACTSDEPHX1
SCHEMBL19975272 0.77 ADH1A (0.45) ADH1BADH1CADH1A
SCHEMBL19975161 0.77 ADH1C (0.42) ADH1BADH1CADH1AEPHX1GAA
SCHEMBL21183539 0.76 ADH1A (0.46) ADH1BADH1CADH1AEPHX1
SCHEMBL19975581 0.75 ADH1A (0.54) ADH1BADH1CADH1ASIGMAR1ALDH1A1
SCHEMBL19975369 0.72 ADH1C (0.51) ADH1BADH1CADH1AEPHX1ALDH1A1
SCHEMBL19974996 0.72 CTSD (0.38) ADH1BADH1CADH1ACTSDEPHX1
SCHEMBL21183558 0.72 ADH1B (0.39) ADH1BADH1CADH1AEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 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 (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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C ADH1B 1889/4885ADH1C 3925/4885ADH1A 3054/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ADH1B 2084/4885ADH1C 3739/4885ADH1A 2909/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ADH1B 1889/4885ADH1C 3925/4885ADH1A 3054/4885

“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.