SCHEMBL21176225

SCHEMBL21176225

CC(C)C(=O)N(C)C(C)C(=O)C(=O)NCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
EPHX1 P07099 5/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
EPHX2 P34913 1/20 0.39
CYP2D6 P10635 1/20 0.39
LIPE Q05469 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL19974973 0.93 TDP1 (0.38) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19975418 0.84 SMN1; SMN2 (0.42) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19975008 0.84 EPHX1 (0.44) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19974762 0.83 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19975201 0.82 EPHX1 (0.44) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19974992 0.81 SMN1; SMN2 (0.40) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19975437 0.78 SMN1; SMN2 (0.47) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19975241 0.78 EPHX1 (0.40) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19975106 0.78 EPHX1 (0.40) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL21183527 0.76 EPHX1 (0.41) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1

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 SMN1; SMN2 706/4885EPHX1 372/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SMN1; SMN2 1086/4885EPHX1 449/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885EPHX1 372/4885ALDH1A1 2271/4885

“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.