SCHEMBL19974979

SCHEMBL19974979

CCC(C(=O)C(=O)NCC1CCCCC1)N(C=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.42
ADH1C P00326 3/20 0.42
ADH1B P00325 2/20 0.42
EPHX1 P07099 3/20 0.38
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
CYP2D6 P10635 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EPHX2 P34913 1/20 0.34
NPC1 O15118 1/20 0.33

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 0.84 ADH1C (0.47) ADH1AADH1CADH1BEPHX1ADH4
SCHEMBL21183524 0.82 ADH1A (0.47) ADH1AADH1CADH1BEPHX1ADH4
SCHEMBL19975245 0.77 ADH1A (0.42) ADH1AADH1CADH1BEPHX1ADH4
SCHEMBL21183558 0.77 ADH1B (0.39) ADH1AADH1CADH1BEPHX1ADH4
SCHEMBL19975179 0.76 KDM4E (0.35) EPHX1CA12CA1CA2MMP1
SCHEMBL21176260 0.75 KDM4E (0.34) EPHX1CA12CA1CA2MMP1
SCHEMBL19975576 0.75 ROCK2 (0.37) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL19974862 0.73 ADH1B (0.46) ADH1AADH1CADH1BEPHX1ADH4
SCHEMBL21183526 0.72 ADH1A (0.49) ADH1AADH1CADH1BEPHX1MMP1
SCHEMBL21183527 0.72 EPHX1 (0.41) ADH1AADH1CADH1BEPHX1ADH4

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
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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (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 ADH1A 3054/4885ADH1C 3925/4885ADH1B 1889/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ADH1A 2909/4885ADH1C 3739/4885ADH1B 2084/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ADH1A 3054/4885ADH1C 3925/4885ADH1B 1889/4885

“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.