SCHEMBL19975080

SCHEMBL19975080

CC(C)NC(=O)C(=O)C(C)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
TSHR P16473 2/20 0.33
NAAA Q02083 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 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
SCHEMBL19974795 0.80 EPHX1 (0.47) EPHX1CYP2C19HTTMAPTRAB9A
SCHEMBL19974774 0.79 EPHX1 (0.40) EPHX1CA12CA1CA2MMP2
SCHEMBL21176387 0.79 EPHX1 (0.44) EPHX1CA12CA1CA2MMP2
SCHEMBL2781270 0.79 SMN1; SMN2 (0.41) EPHX1NAAACYP19A1NPC1MAPT
SCHEMBL19974974 0.78 EPHX1 (0.42) EPHX1CA12CA1CA2MMP2
SCHEMBL2175723 0.77 SMN1; SMN2 (0.39) EPHX1CYP19A1NPC1MAPTRAB9A
SCHEMBL3820571 0.76 TSHR (0.42) EPHX1CA12CA1CA2MMP2
SCHEMBL14123397 0.75 EPHX1 (0.37) EPHX1CA12CA1CA2MMP2
SCHEMBL14410332 0.73 TSHR (0.40) EPHX1CA12CA1CA2MMP2
SCHEMBL25472859 0.72 EPHX1 (0.34) EPHX1NAAACYP19A1HTT

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 EPHX1 372/4885CA12 3472/4885CA1 3962/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C EPHX1 449/4885CA12 3451/4885CA1 4029/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885CA12 3472/4885CA1 3962/4885

“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.