SCHEMBL19975246

SCHEMBL19975246

CC(C)C1OC1C(=O)NCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
EPHX1 P07099 2/20 0.41
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LIPE Q05469 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK14 Q16539 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
EPHX2 P34913 1/20 0.33
GRM4 Q14833 1/20 0.33
MEN1 O00255 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
SCHEMBL19975293 0.78 TDP1 (0.47) TDP1EPHX1SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL19974767 0.77 TDP1 (0.39) TDP1EPHX1KMT2ASMN1; SMN2CYP3A4
SCHEMBL19974687 0.74 TDP1 (0.42) TDP1EPHX1SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL19974928 0.73 TDP1 (0.36) TDP1EPHX1KMT2ASMN1; SMN2CYP3A4
SCHEMBL19975039 0.71 TDP1 (0.44) TDP1EPHX1KMT2ASMN1; SMN2CYP3A4
SCHEMBL19975076 0.71 EPHX1 (0.52) TDP1EPHX1KMT2ALIPEGRM4
SCHEMBL19974743 0.71 EPHX1 (0.56) TDP1EPHX1KMT2ALIPEGRM4
SCHEMBL19974896 0.71 TDP1 (0.40) TDP1EPHX1KMT2ACYP3A4ALDH1A1
SCHEMBL19975523 0.71 TDP1 (0.37) TDP1EPHX1KMT2ASMN1; SMN2CYP3A4
SCHEMBL19975040 0.70 TDP1 (0.36) TDP1EPHX1KMT2AALDH1A1EPHX2

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 372/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885EPHX1 449/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885EPHX1 372/4885KMT2A 4031/4885

“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.