SCHEMBL19974896

SCHEMBL19974896

CCCC1OC1C(=O)NCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 2/20 0.40
FAAH O00519 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
LMNA P02545 2/20 0.32
LIPE Q05469 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRM4 Q14833 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 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
SCHEMBL21176165 0.92 EPHX1 (0.51) EPHX1LIPECYP2D6KMT2ACA12
SCHEMBL19974687 0.86 TDP1 (0.42) TDP1EPHX1FAAHALDH1A1CYP3A4
SCHEMBL19975523 0.83 TDP1 (0.37) TDP1EPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL19974928 0.81 TDP1 (0.36) TDP1EPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL19975040 0.81 TDP1 (0.36) TDP1EPHX1ALDH1A1LMNAMEN1
SCHEMBL19982736 0.80 ALDH1A1 (0.45) TDP1EPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL19975044 0.79 TSHR (0.38) TDP1EPHX1
SCHEMBL19974693 0.79 EPHX1 (0.54) EPHX1LIPECYP2D6MEN1KMT2A
SCHEMBL19974767 0.79 TDP1 (0.39) TDP1EPHX1FAAHALDH1A1CYP3A4
SCHEMBL19975293 0.77 TDP1 (0.47) TDP1EPHX1FAAHALDH1A1CYP3A4

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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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 372/4885FAAH 906/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885EPHX1 449/4885FAAH 948/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885EPHX1 372/4885FAAH 906/4885

“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.