SCHEMBL19974767

SCHEMBL19974767

CC(C)CC1OC1C(=O)NCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 2/20 0.39
LIPE Q05469 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
MAPK14 Q16539 1/20 0.32
FAAH O00519 1/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.31
GRM4 Q14833 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
SCHEMBL19974687 0.81 TDP1 (0.42) TDP1EPHX1LIPECYP2C19CYP3A4
SCHEMBL19974896 0.79 TDP1 (0.40) TDP1EPHX1LIPECYP2C19CYP3A4
SCHEMBL19975246 0.77 TDP1 (0.41) TDP1EPHX1LIPECYP2C19CYP3A4
SCHEMBL19975293 0.75 TDP1 (0.47) TDP1EPHX1LIPECYP2C19CYP3A4
SCHEMBL19975523 0.75 TDP1 (0.37) TDP1EPHX1CYP2C19CYP3A4ALDH1A1
SCHEMBL19974693 0.74 EPHX1 (0.54) EPHX1LIPEKMT2AMEN1GAA
SCHEMBL19974928 0.74 TDP1 (0.36) TDP1EPHX1CYP2C19CYP3A4ALDH1A1
SCHEMBL19982736 0.72 ALDH1A1 (0.45) TDP1EPHX1CYP2C19CYP3A4ALDH1A1
SCHEMBL21176165 0.72 EPHX1 (0.51) EPHX1LIPEKMT2AGAA
SCHEMBL19975044 0.72 TSHR (0.38) TDP1EPHX1EPHX2

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 TDP1 1016/4885EPHX1 372/4885LIPE 694/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885EPHX1 449/4885LIPE 669/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885EPHX1 372/4885LIPE 694/4885

“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.