SCHEMBL19975345

SCHEMBL19975345

O=C(NCC1CC1)C1OC1C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
POLB P06746 1/20 0.32
RORC P51449 2/20 0.32
NAMPT P43490 2/20 0.32
GRM4 Q14833 1/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL19975039 0.90 TDP1 (0.44) TDP1EPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL19975293 0.72 TDP1 (0.47) TDP1EPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL29300014 0.70 POLB (0.34) EPHX1ALDH1A1CYP2C19ADORA3POLB
SCHEMBL19974687 0.68 TDP1 (0.42) TDP1EPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL9956855 0.67 CYP2D6 (0.53) TDP1EPHX1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL21640704 0.67 EPHX1 (0.49) TDP1EPHX1NPC1RAB9ARORC
SCHEMBL19975246 0.67 TDP1 (0.41) TDP1EPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL1869455 0.67 EPHX1 (0.44) TDP1EPHX1NPC1RAB9ARORC
SCHEMBL30554628 0.66 EPHX1 (0.57) TDP1EPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL18028783 0.66 TDP1 (0.72) TDP1EPHX1NPC1RAB9ANAMPT

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 8 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
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 372/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885EPHX1 449/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885EPHX1 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.